USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 11 SER OG : rot 79:sc= 1.23 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 89:sc= 1.18 USER MOD Single : A 5 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.32) USER MOD Single : A 9 THR OG1 : rot -75:sc= 1.13 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 172:sc= 0.006 USER MOD Single : A 24 GLN : amide:sc= 0.819 K(o=0.82,f=-0.062) USER MOD Single : A 26 THR OG1 : rot -27:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.9) USER MOD Single : A 43 THR OG1 : rot 88:sc= -0.395 USER MOD Single : A 46 SER OG : rot 180:sc= 0.025 USER MOD Single : A 51 HIS : no HE2:sc= -2.79! K(o=-2.8!,f=-0.89) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -42:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.101 -12.852 0.076 1.00 0.00 N ATOM 9 CA SER A 2 -2.694 -12.545 -0.212 1.00 0.00 C ATOM 10 C SER A 2 -2.406 -11.053 -0.076 1.00 0.00 C ATOM 11 O SER A 2 -1.479 -10.632 0.620 1.00 0.00 O ATOM 12 CB SER A 2 -2.347 -12.979 -1.646 1.00 0.00 C ATOM 13 OG SER A 2 -3.484 -13.343 -2.418 1.00 0.00 O ATOM 0 HA SER A 2 -2.086 -13.089 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.823 -12.165 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.659 -13.824 -1.605 1.00 0.00 H new ATOM 0 HG SER A 2 -3.843 -12.549 -2.866 1.00 0.00 H new ATOM 19 N GLU A 3 -3.197 -10.272 -0.806 1.00 0.00 N ATOM 20 CA GLU A 3 -3.145 -8.816 -0.812 1.00 0.00 C ATOM 21 C GLU A 3 -3.461 -8.306 0.599 1.00 0.00 C ATOM 22 O GLU A 3 -2.699 -7.522 1.153 1.00 0.00 O ATOM 23 CB GLU A 3 -4.089 -8.204 -1.868 1.00 0.00 C ATOM 24 CG GLU A 3 -4.019 -8.754 -3.304 1.00 0.00 C ATOM 25 CD GLU A 3 -4.832 -10.039 -3.457 1.00 0.00 C ATOM 26 OE1 GLU A 3 -6.082 -10.003 -3.368 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.227 -11.138 -3.476 1.00 0.00 O ATOM 0 H GLU A 3 -3.913 -10.648 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.141 -8.498 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.112 -8.327 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.893 -7.133 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.392 -8.003 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.980 -8.947 -3.570 1.00 0.00 H new ATOM 34 N GLU A 4 -4.531 -8.808 1.220 1.00 0.00 N ATOM 35 CA GLU A 4 -4.942 -8.419 2.575 1.00 0.00 C ATOM 36 C GLU A 4 -3.793 -8.618 3.576 1.00 0.00 C ATOM 37 O GLU A 4 -3.475 -7.740 4.374 1.00 0.00 O ATOM 38 CB GLU A 4 -6.180 -9.220 3.020 1.00 0.00 C ATOM 39 CG GLU A 4 -7.303 -9.250 1.974 1.00 0.00 C ATOM 40 CD GLU A 4 -8.622 -9.744 2.571 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.745 -10.967 2.833 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.533 -8.902 2.744 1.00 0.00 O ATOM 0 H GLU A 4 -5.144 -9.503 0.794 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.201 -7.360 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.878 -10.243 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.567 -8.790 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.442 -8.251 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.013 -9.898 1.147 1.00 0.00 H new ATOM 49 N HIS A 5 -3.103 -9.756 3.486 1.00 0.00 N ATOM 50 CA HIS A 5 -1.991 -10.098 4.365 1.00 0.00 C ATOM 51 C HIS A 5 -0.850 -9.100 4.161 1.00 0.00 C ATOM 52 O HIS A 5 -0.110 -8.806 5.099 1.00 0.00 O ATOM 53 CB HIS A 5 -1.548 -11.548 4.086 1.00 0.00 C ATOM 54 CG HIS A 5 -0.469 -12.134 4.980 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.064 -13.396 4.840 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.129 -11.570 6.079 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.952 -13.580 5.832 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.072 -12.475 6.580 1.00 0.00 N ATOM 0 H HIS A 5 -3.306 -10.474 2.790 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.299 -10.037 5.409 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.427 -12.188 4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.197 -11.600 3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.090 -10.595 6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.496 -14.497 6.003 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.718 -12.324 7.355 1.00 0.00 H new ATOM 66 N PHE A 6 -0.677 -8.547 2.961 1.00 0.00 N ATOM 67 CA PHE A 6 0.366 -7.562 2.739 1.00 0.00 C ATOM 68 C PHE A 6 0.101 -6.273 3.516 1.00 0.00 C ATOM 69 O PHE A 6 1.022 -5.729 4.124 1.00 0.00 O ATOM 70 CB PHE A 6 0.523 -7.268 1.252 1.00 0.00 C ATOM 71 CG PHE A 6 1.745 -6.421 0.990 1.00 0.00 C ATOM 72 CD1 PHE A 6 3.026 -6.968 1.157 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.598 -5.052 0.720 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.163 -6.152 1.032 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.735 -4.231 0.598 1.00 0.00 C ATOM 76 CZ PHE A 6 4.020 -4.782 0.746 1.00 0.00 C ATOM 0 H PHE A 6 -1.242 -8.765 2.140 1.00 0.00 H new ATOM 0 HA PHE A 6 1.299 -7.985 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.601 -8.204 0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.365 -6.754 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.138 -8.018 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.611 -4.628 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.148 -6.577 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.620 -3.177 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.894 -4.156 0.641 1.00 0.00 H new ATOM 86 N VAL A 7 -1.149 -5.807 3.530 1.00 0.00 N ATOM 87 CA VAL A 7 -1.553 -4.701 4.397 1.00 0.00 C ATOM 88 C VAL A 7 -1.175 -5.048 5.831 1.00 0.00 C ATOM 89 O VAL A 7 -0.538 -4.260 6.538 1.00 0.00 O ATOM 90 CB VAL A 7 -3.061 -4.402 4.267 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.461 -3.226 5.166 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.445 -4.092 2.815 1.00 0.00 C ATOM 0 H VAL A 7 -1.900 -6.180 2.949 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.033 -3.793 4.093 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.598 -5.295 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.528 -3.032 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.239 -3.470 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.900 -2.338 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.514 -3.886 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.888 -3.221 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.206 -4.949 2.185 1.00 0.00 H new ATOM 102 N GLU A 8 -1.564 -6.247 6.245 1.00 0.00 N ATOM 103 CA GLU A 8 -1.517 -6.637 7.637 1.00 0.00 C ATOM 104 C GLU A 8 -0.065 -6.709 8.114 1.00 0.00 C ATOM 105 O GLU A 8 0.249 -6.156 9.162 1.00 0.00 O ATOM 106 CB GLU A 8 -2.331 -7.925 7.830 1.00 0.00 C ATOM 107 CG GLU A 8 -2.813 -8.060 9.283 1.00 0.00 C ATOM 108 CD GLU A 8 -4.067 -8.932 9.451 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.410 -9.742 8.556 1.00 0.00 O ATOM 110 OE2 GLU A 8 -4.721 -8.817 10.513 1.00 0.00 O ATOM 0 H GLU A 8 -1.920 -6.972 5.621 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.987 -5.888 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.189 -7.921 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.721 -8.788 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.007 -8.482 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.019 -7.066 9.680 1.00 0.00 H new ATOM 117 N THR A 9 0.845 -7.280 7.318 1.00 0.00 N ATOM 118 CA THR A 9 2.257 -7.401 7.653 1.00 0.00 C ATOM 119 C THR A 9 2.912 -6.030 7.836 1.00 0.00 C ATOM 120 O THR A 9 3.680 -5.831 8.787 1.00 0.00 O ATOM 121 CB THR A 9 3.022 -8.185 6.571 1.00 0.00 C ATOM 122 OG1 THR A 9 2.452 -8.163 5.277 1.00 0.00 O ATOM 123 CG2 THR A 9 3.262 -9.651 6.933 1.00 0.00 C ATOM 0 H THR A 9 0.611 -7.676 6.408 1.00 0.00 H new ATOM 0 HA THR A 9 2.309 -7.946 8.596 1.00 0.00 H new ATOM 0 HB THR A 9 3.963 -7.635 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.672 -8.755 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.806 -10.141 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.847 -9.708 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.305 -10.151 7.081 1.00 0.00 H new ATOM 131 N VAL A 10 2.639 -5.096 6.920 1.00 0.00 N ATOM 132 CA VAL A 10 3.171 -3.746 7.014 1.00 0.00 C ATOM 133 C VAL A 10 2.643 -3.085 8.291 1.00 0.00 C ATOM 134 O VAL A 10 3.409 -2.403 8.971 1.00 0.00 O ATOM 135 CB VAL A 10 2.831 -2.953 5.736 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.122 -1.468 5.900 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.634 -3.447 4.532 1.00 0.00 C ATOM 0 H VAL A 10 2.049 -5.258 6.104 1.00 0.00 H new ATOM 0 HA VAL A 10 4.259 -3.766 7.084 1.00 0.00 H new ATOM 0 HB VAL A 10 1.766 -3.110 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.869 -0.944 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.525 -1.069 6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.180 -1.327 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.366 -2.863 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.699 -3.332 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.410 -4.499 4.352 1.00 0.00 H new ATOM 147 N SER A 11 1.374 -3.304 8.644 1.00 0.00 N ATOM 148 CA SER A 11 0.775 -2.706 9.828 1.00 0.00 C ATOM 149 C SER A 11 1.474 -3.161 11.118 1.00 0.00 C ATOM 150 O SER A 11 1.587 -2.395 12.079 1.00 0.00 O ATOM 151 CB SER A 11 -0.728 -2.992 9.864 1.00 0.00 C ATOM 152 OG SER A 11 -1.390 -2.809 8.615 1.00 0.00 O ATOM 0 H SER A 11 0.738 -3.901 8.115 1.00 0.00 H new ATOM 0 HA SER A 11 0.914 -1.627 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.883 -4.018 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.192 -2.343 10.606 1.00 0.00 H new ATOM 0 HG SER A 11 -1.223 -3.585 8.040 1.00 0.00 H new ATOM 158 N LEU A 12 2.033 -4.376 11.130 1.00 0.00 N ATOM 159 CA LEU A 12 2.869 -4.837 12.232 1.00 0.00 C ATOM 160 C LEU A 12 4.122 -3.969 12.305 1.00 0.00 C ATOM 161 O LEU A 12 4.413 -3.376 13.345 1.00 0.00 O ATOM 162 CB LEU A 12 3.237 -6.324 12.104 1.00 0.00 C ATOM 163 CG LEU A 12 2.036 -7.255 11.897 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.553 -8.671 11.629 1.00 0.00 C ATOM 165 CD2 LEU A 12 1.083 -7.283 13.098 1.00 0.00 C ATOM 0 H LEU A 12 1.917 -5.058 10.381 1.00 0.00 H new ATOM 0 HA LEU A 12 2.300 -4.741 13.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.925 -6.445 11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.771 -6.633 13.003 1.00 0.00 H new ATOM 0 HG LEU A 12 1.467 -6.872 11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.709 -9.344 11.480 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.177 -8.667 10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.142 -9.011 12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.254 -7.960 12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.620 -7.629 13.981 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.696 -6.280 13.279 1.00 0.00 H new ATOM 177 N ALA A 13 4.886 -3.898 11.213 1.00 0.00 N ATOM 178 CA ALA A 13 6.150 -3.167 11.164 1.00 0.00 C ATOM 179 C ALA A 13 5.956 -1.667 11.405 1.00 0.00 C ATOM 180 O ALA A 13 6.847 -0.996 11.932 1.00 0.00 O ATOM 181 CB ALA A 13 6.813 -3.421 9.807 1.00 0.00 C ATOM 0 H ALA A 13 4.641 -4.350 10.332 1.00 0.00 H new ATOM 0 HA ALA A 13 6.794 -3.528 11.966 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.758 -2.881 9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.998 -4.488 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.155 -3.075 9.010 1.00 0.00 H new ATOM 187 N GLY A 14 4.800 -1.124 11.034 1.00 0.00 N ATOM 188 CA GLY A 14 4.594 0.307 10.931 1.00 0.00 C ATOM 189 C GLY A 14 5.383 0.903 9.764 1.00 0.00 C ATOM 190 O GLY A 14 5.538 2.123 9.691 1.00 0.00 O ATOM 0 H GLY A 14 3.976 -1.675 10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.532 0.514 10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.898 0.788 11.861 1.00 0.00 H new ATOM 194 N SER A 15 5.904 0.085 8.843 1.00 0.00 N ATOM 195 CA SER A 15 6.803 0.544 7.801 1.00 0.00 C ATOM 196 C SER A 15 7.055 -0.576 6.791 1.00 0.00 C ATOM 197 O SER A 15 6.560 -1.693 6.960 1.00 0.00 O ATOM 198 CB SER A 15 8.084 1.039 8.498 1.00 0.00 C ATOM 199 OG SER A 15 8.946 -0.014 8.873 1.00 0.00 O ATOM 0 H SER A 15 5.708 -0.915 8.807 1.00 0.00 H new ATOM 0 HA SER A 15 6.377 1.365 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.616 1.717 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.811 1.612 9.384 1.00 0.00 H new ATOM 0 HG SER A 15 9.743 0.355 9.309 1.00 0.00 H new ATOM 205 N TYR A 16 7.783 -0.279 5.712 1.00 0.00 N ATOM 206 CA TYR A 16 8.177 -1.277 4.722 1.00 0.00 C ATOM 207 C TYR A 16 9.380 -0.794 3.917 1.00 0.00 C ATOM 208 O TYR A 16 9.255 0.197 3.197 1.00 0.00 O ATOM 209 CB TYR A 16 7.007 -1.551 3.769 1.00 0.00 C ATOM 210 CG TYR A 16 7.257 -2.734 2.861 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.009 -4.034 3.330 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.763 -2.544 1.563 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.212 -5.136 2.492 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.985 -3.649 0.720 1.00 0.00 C ATOM 215 CZ TYR A 16 7.704 -4.951 1.181 1.00 0.00 C ATOM 216 OH TYR A 16 7.934 -6.013 0.365 1.00 0.00 O ATOM 0 H TYR A 16 8.115 0.662 5.502 1.00 0.00 H new ATOM 0 HA TYR A 16 8.449 -2.193 5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.104 -1.730 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.824 -0.665 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.660 -4.184 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.982 -1.547 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.992 -6.131 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.370 -3.500 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 16 8.270 -5.695 -0.499 1.00 0.00 H new ATOM 226 N ARG A 17 10.512 -1.504 3.964 1.00 0.00 N ATOM 227 CA ARG A 17 11.787 -1.167 3.318 1.00 0.00 C ATOM 228 C ARG A 17 12.321 0.169 3.838 1.00 0.00 C ATOM 229 O ARG A 17 13.128 0.184 4.761 1.00 0.00 O ATOM 230 CB ARG A 17 11.687 -1.217 1.781 1.00 0.00 C ATOM 231 CG ARG A 17 11.253 -2.584 1.229 1.00 0.00 C ATOM 232 CD ARG A 17 12.308 -3.258 0.347 1.00 0.00 C ATOM 233 NE ARG A 17 13.198 -4.153 1.101 1.00 0.00 N ATOM 234 CZ ARG A 17 14.380 -3.858 1.656 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.876 -2.624 1.593 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.060 -4.825 2.258 1.00 0.00 N ATOM 0 H ARG A 17 10.567 -2.380 4.484 1.00 0.00 H new ATOM 0 HA ARG A 17 12.516 -1.930 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.977 -0.460 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.656 -0.955 1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.016 -3.244 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.337 -2.458 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.809 -3.827 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.905 -2.491 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 17 12.876 -5.114 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.354 -1.888 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.778 -2.414 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.680 -5.771 2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.963 -4.622 2.688 1.00 0.00 H new ATOM 250 N ASP A 18 11.840 1.260 3.246 1.00 0.00 N ATOM 251 CA ASP A 18 12.184 2.658 3.508 1.00 0.00 C ATOM 252 C ASP A 18 10.919 3.515 3.675 1.00 0.00 C ATOM 253 O ASP A 18 11.005 4.717 3.921 1.00 0.00 O ATOM 254 CB ASP A 18 13.027 3.202 2.343 1.00 0.00 C ATOM 255 CG ASP A 18 14.510 2.886 2.491 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.935 1.773 2.102 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.285 3.772 2.914 1.00 0.00 O ATOM 0 H ASP A 18 11.140 1.183 2.508 1.00 0.00 H new ATOM 0 HA ASP A 18 12.755 2.707 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.661 2.779 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.895 4.282 2.278 1.00 0.00 H new ATOM 262 N TRP A 19 9.730 2.930 3.523 1.00 0.00 N ATOM 263 CA TRP A 19 8.439 3.601 3.625 1.00 0.00 C ATOM 264 C TRP A 19 7.907 3.492 5.048 1.00 0.00 C ATOM 265 O TRP A 19 8.283 2.587 5.784 1.00 0.00 O ATOM 266 CB TRP A 19 7.414 2.940 2.691 1.00 0.00 C ATOM 267 CG TRP A 19 7.748 2.863 1.236 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.808 2.229 0.692 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.048 3.489 0.122 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.824 2.442 -0.666 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.775 3.236 -1.072 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.900 4.294 0.014 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.361 3.740 -2.308 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.467 4.810 -1.212 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.207 4.539 -2.377 1.00 0.00 C ATOM 0 H TRP A 19 9.640 1.935 3.317 1.00 0.00 H new ATOM 0 HA TRP A 19 8.582 4.645 3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.239 1.925 3.049 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.472 3.480 2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.532 1.644 1.239 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.528 2.058 -1.297 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.335 4.521 0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.923 3.517 -3.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.572 5.412 -1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.888 4.945 -3.325 1.00 0.00 H new ATOM 286 N SER A 20 6.925 4.316 5.381 1.00 0.00 N ATOM 287 CA SER A 20 6.203 4.396 6.638 1.00 0.00 C ATOM 288 C SER A 20 4.779 3.940 6.374 1.00 0.00 C ATOM 289 O SER A 20 4.203 4.311 5.357 1.00 0.00 O ATOM 290 CB SER A 20 6.168 5.859 7.096 1.00 0.00 C ATOM 291 OG SER A 20 7.223 6.136 7.997 1.00 0.00 O ATOM 0 H SER A 20 6.583 5.009 4.715 1.00 0.00 H new ATOM 0 HA SER A 20 6.680 3.780 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.243 6.516 6.230 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.212 6.071 7.575 1.00 0.00 H new ATOM 0 HG SER A 20 7.180 7.075 8.273 1.00 0.00 H new ATOM 297 N TYR A 21 4.217 3.135 7.264 1.00 0.00 N ATOM 298 CA TYR A 21 2.792 2.813 7.290 1.00 0.00 C ATOM 299 C TYR A 21 1.966 4.063 7.657 1.00 0.00 C ATOM 300 O TYR A 21 2.511 5.068 8.117 1.00 0.00 O ATOM 301 CB TYR A 21 2.651 1.653 8.285 1.00 0.00 C ATOM 302 CG TYR A 21 1.261 1.167 8.644 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.361 0.756 7.642 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.884 1.070 9.998 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.948 0.381 7.987 1.00 0.00 C ATOM 306 CE2 TYR A 21 -0.403 0.644 10.351 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.342 0.353 9.344 1.00 0.00 C ATOM 308 OH TYR A 21 -2.624 0.076 9.702 1.00 0.00 O ATOM 0 H TYR A 21 4.747 2.676 8.005 1.00 0.00 H new ATOM 0 HA TYR A 21 2.403 2.506 6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.205 0.804 7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.147 1.948 9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.677 0.729 6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.594 1.326 10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.654 0.114 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.673 0.539 11.391 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.704 0.101 10.678 1.00 0.00 H new ATOM 318 N SER A 22 0.657 4.007 7.418 1.00 0.00 N ATOM 319 CA SER A 22 -0.377 4.960 7.787 1.00 0.00 C ATOM 320 C SER A 22 -1.573 4.090 8.196 1.00 0.00 C ATOM 321 O SER A 22 -1.526 3.441 9.236 1.00 0.00 O ATOM 322 CB SER A 22 -0.629 5.962 6.645 1.00 0.00 C ATOM 323 OG SER A 22 -1.678 6.867 6.944 1.00 0.00 O ATOM 0 H SER A 22 0.260 3.215 6.912 1.00 0.00 H new ATOM 0 HA SER A 22 -0.112 5.613 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.285 6.522 6.448 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.872 5.416 5.733 1.00 0.00 H new ATOM 0 HG SER A 22 -1.719 7.560 6.253 1.00 0.00 H new ATOM 329 N GLY A 23 -2.659 4.082 7.420 1.00 0.00 N ATOM 330 CA GLY A 23 -3.876 3.322 7.697 1.00 0.00 C ATOM 331 C GLY A 23 -5.095 4.234 7.855 1.00 0.00 C ATOM 332 O GLY A 23 -6.182 3.796 8.232 1.00 0.00 O ATOM 0 H GLY A 23 -2.716 4.621 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.054 2.615 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.740 2.737 8.607 1.00 0.00 H new ATOM 336 N GLN A 24 -4.945 5.513 7.514 1.00 0.00 N ATOM 337 CA GLN A 24 -6.007 6.501 7.555 1.00 0.00 C ATOM 338 C GLN A 24 -6.938 6.288 6.368 1.00 0.00 C ATOM 339 O GLN A 24 -6.530 6.501 5.226 1.00 0.00 O ATOM 340 CB GLN A 24 -5.377 7.902 7.537 1.00 0.00 C ATOM 341 CG GLN A 24 -6.438 9.015 7.489 1.00 0.00 C ATOM 342 CD GLN A 24 -7.412 8.953 8.670 1.00 0.00 C ATOM 343 OE1 GLN A 24 -7.003 8.927 9.828 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.708 8.905 8.417 1.00 0.00 N ATOM 0 H GLN A 24 -4.055 5.895 7.194 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.597 6.399 8.466 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.757 8.031 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.719 7.992 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.941 9.985 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.998 8.938 6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.041 8.927 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.376 8.846 9.186 1.00 0.00 H new ATOM 353 N ARG A 25 -8.184 5.872 6.612 1.00 0.00 N ATOM 354 CA ARG A 25 -9.201 5.878 5.559 1.00 0.00 C ATOM 355 C ARG A 25 -9.359 7.279 4.984 1.00 0.00 C ATOM 356 O ARG A 25 -9.421 8.250 5.740 1.00 0.00 O ATOM 357 CB ARG A 25 -10.525 5.253 5.960 1.00 0.00 C ATOM 358 CG ARG A 25 -11.116 5.825 7.231 1.00 0.00 C ATOM 359 CD ARG A 25 -10.693 5.006 8.452 1.00 0.00 C ATOM 360 NE ARG A 25 -11.808 4.220 9.001 1.00 0.00 N ATOM 361 CZ ARG A 25 -11.980 3.870 10.281 1.00 0.00 C ATOM 362 NH1 ARG A 25 -11.187 4.346 11.240 1.00 0.00 N ATOM 363 NH2 ARG A 25 -12.975 3.047 10.595 1.00 0.00 N ATOM 0 H ARG A 25 -8.509 5.531 7.517 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.835 5.221 4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.239 5.387 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.385 4.180 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.793 6.859 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.203 5.838 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.879 4.336 8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.307 5.675 9.221 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.521 3.911 8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.432 4.990 11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.335 4.067 12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.593 2.692 9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.121 2.770 11.566 1.00 0.00 H new ATOM 377 N THR A 26 -9.484 7.374 3.668 1.00 0.00 N ATOM 378 CA THR A 26 -9.862 8.588 2.965 1.00 0.00 C ATOM 379 C THR A 26 -10.911 8.201 1.923 1.00 0.00 C ATOM 380 O THR A 26 -11.166 7.011 1.710 1.00 0.00 O ATOM 381 CB THR A 26 -8.630 9.287 2.345 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.121 8.605 1.220 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.481 9.497 3.332 1.00 0.00 C ATOM 0 H THR A 26 -9.320 6.585 3.043 1.00 0.00 H new ATOM 0 HA THR A 26 -10.287 9.319 3.653 1.00 0.00 H new ATOM 0 HB THR A 26 -9.015 10.261 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.336 7.652 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.652 9.992 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.822 10.117 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.148 8.532 3.714 1.00 0.00 H new ATOM 391 N GLU A 27 -11.505 9.169 1.236 1.00 0.00 N ATOM 392 CA GLU A 27 -12.356 8.919 0.076 1.00 0.00 C ATOM 393 C GLU A 27 -11.676 7.988 -0.936 1.00 0.00 C ATOM 394 O GLU A 27 -12.283 7.010 -1.382 1.00 0.00 O ATOM 395 CB GLU A 27 -12.769 10.241 -0.583 1.00 0.00 C ATOM 396 CG GLU A 27 -11.680 11.325 -0.663 1.00 0.00 C ATOM 397 CD GLU A 27 -12.047 12.379 -1.703 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.856 12.115 -2.906 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.591 13.437 -1.304 1.00 0.00 O ATOM 0 H GLU A 27 -11.410 10.158 1.469 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.255 8.413 0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.115 10.027 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.619 10.648 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.556 11.796 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.724 10.869 -0.921 1.00 0.00 H new ATOM 406 N LEU A 28 -10.402 8.251 -1.237 1.00 0.00 N ATOM 407 CA LEU A 28 -9.601 7.630 -2.296 1.00 0.00 C ATOM 408 C LEU A 28 -9.129 6.236 -1.942 1.00 0.00 C ATOM 409 O LEU A 28 -8.470 5.588 -2.754 1.00 0.00 O ATOM 410 CB LEU A 28 -8.412 8.558 -2.610 1.00 0.00 C ATOM 411 CG LEU A 28 -8.855 9.929 -3.166 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.852 11.019 -2.780 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.062 9.882 -4.676 1.00 0.00 C ATOM 0 H LEU A 28 -9.869 8.947 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.230 7.507 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.826 8.710 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.758 8.071 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.816 10.175 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.183 11.977 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.786 11.084 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.872 10.773 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.373 10.864 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.129 9.599 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.832 9.149 -4.915 1.00 0.00 H new ATOM 425 N GLY A 29 -9.494 5.770 -0.754 1.00 0.00 N ATOM 426 CA GLY A 29 -9.007 4.540 -0.199 1.00 0.00 C ATOM 427 C GLY A 29 -8.284 4.841 1.097 1.00 0.00 C ATOM 428 O GLY A 29 -8.127 6.002 1.488 1.00 0.00 O ATOM 0 H GLY A 29 -10.152 6.257 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.834 3.854 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.333 4.050 -0.902 1.00 0.00 H new ATOM 432 N VAL A 30 -7.853 3.803 1.794 1.00 0.00 N ATOM 433 CA VAL A 30 -7.087 3.997 3.008 1.00 0.00 C ATOM 434 C VAL A 30 -5.633 4.223 2.607 1.00 0.00 C ATOM 435 O VAL A 30 -5.116 3.535 1.725 1.00 0.00 O ATOM 436 CB VAL A 30 -7.386 2.863 4.006 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.269 1.480 3.407 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.481 2.891 5.228 1.00 0.00 C ATOM 0 H VAL A 30 -8.019 2.829 1.542 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.371 4.888 3.567 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.420 3.054 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.494 0.733 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.974 1.380 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.255 1.328 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.742 2.067 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.442 2.789 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.610 3.837 5.754 1.00 0.00 H new ATOM 448 N GLU A 31 -4.997 5.226 3.214 1.00 0.00 N ATOM 449 CA GLU A 31 -3.577 5.496 3.062 1.00 0.00 C ATOM 450 C GLU A 31 -2.800 4.238 3.444 1.00 0.00 C ATOM 451 O GLU A 31 -3.131 3.544 4.410 1.00 0.00 O ATOM 452 CB GLU A 31 -3.137 6.643 3.986 1.00 0.00 C ATOM 453 CG GLU A 31 -3.450 8.044 3.433 1.00 0.00 C ATOM 454 CD GLU A 31 -2.705 9.129 4.225 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.474 9.003 4.404 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.327 10.118 4.687 1.00 0.00 O ATOM 0 H GLU A 31 -5.469 5.883 3.836 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.380 5.781 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.628 6.527 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.064 6.564 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.165 8.096 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.524 8.226 3.481 1.00 0.00 H new ATOM 463 N PHE A 32 -1.727 3.967 2.718 1.00 0.00 N ATOM 464 CA PHE A 32 -0.889 2.817 2.921 1.00 0.00 C ATOM 465 C PHE A 32 0.476 3.226 3.379 1.00 0.00 C ATOM 466 O PHE A 32 0.687 3.753 4.470 1.00 0.00 O ATOM 467 CB PHE A 32 -1.079 1.794 1.784 1.00 0.00 C ATOM 468 CG PHE A 32 -0.665 0.355 2.071 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.579 -0.183 3.379 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.395 -0.483 0.976 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.110 -1.487 3.580 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.052 -1.795 1.182 1.00 0.00 C ATOM 473 CZ PHE A 32 0.234 -2.286 2.483 1.00 0.00 C ATOM 0 H PHE A 32 -1.414 4.564 1.952 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.195 2.209 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.132 1.794 1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.516 2.142 0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.877 0.417 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.533 -0.114 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.014 -1.877 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.258 -2.432 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.638 -3.276 2.638 1.00 0.00 H new ATOM 483 N LEU A 33 1.375 2.962 2.485 1.00 0.00 N ATOM 484 CA LEU A 33 2.787 3.274 2.648 1.00 0.00 C ATOM 485 C LEU A 33 3.034 4.668 2.100 1.00 0.00 C ATOM 486 O LEU A 33 2.746 4.959 0.939 1.00 0.00 O ATOM 487 CB LEU A 33 3.728 2.256 1.986 1.00 0.00 C ATOM 488 CG LEU A 33 3.921 0.924 2.737 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.379 1.140 4.182 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.661 0.086 2.600 1.00 0.00 C ATOM 0 H LEU A 33 1.158 2.513 1.595 1.00 0.00 H new ATOM 0 HA LEU A 33 3.017 3.225 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.348 2.036 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.705 2.723 1.859 1.00 0.00 H new ATOM 0 HG LEU A 33 4.735 0.360 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.502 0.175 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.330 1.673 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.632 1.726 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.792 -0.858 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.816 0.627 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.469 -0.113 1.546 1.00 0.00 H new ATOM 502 N LYS A 34 3.665 5.501 2.913 1.00 0.00 N ATOM 503 CA LYS A 34 4.186 6.802 2.550 1.00 0.00 C ATOM 504 C LYS A 34 5.707 6.736 2.591 1.00 0.00 C ATOM 505 O LYS A 34 6.263 6.274 3.579 1.00 0.00 O ATOM 506 CB LYS A 34 3.609 7.864 3.499 1.00 0.00 C ATOM 507 CG LYS A 34 2.136 8.133 3.140 1.00 0.00 C ATOM 508 CD LYS A 34 1.524 9.478 3.570 1.00 0.00 C ATOM 509 CE LYS A 34 2.325 10.722 3.160 1.00 0.00 C ATOM 510 NZ LYS A 34 1.523 11.968 3.208 1.00 0.00 N ATOM 0 H LYS A 34 3.834 5.273 3.893 1.00 0.00 H new ATOM 0 HA LYS A 34 3.889 7.085 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.686 7.523 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.186 8.786 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.035 8.050 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.534 7.337 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.522 9.555 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.413 9.478 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.187 10.826 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.710 10.583 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.064 12.746 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.637 11.831 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.305 12.203 4.197 1.00 0.00 H new ATOM 524 N ARG A 35 6.401 7.144 1.528 1.00 0.00 N ATOM 525 CA ARG A 35 7.858 7.313 1.518 1.00 0.00 C ATOM 526 C ARG A 35 8.112 8.683 0.951 1.00 0.00 C ATOM 527 O ARG A 35 7.843 8.883 -0.232 1.00 0.00 O ATOM 528 CB ARG A 35 8.568 6.241 0.679 1.00 0.00 C ATOM 529 CG ARG A 35 10.083 6.454 0.506 1.00 0.00 C ATOM 530 CD ARG A 35 10.735 5.356 -0.350 1.00 0.00 C ATOM 531 NE ARG A 35 10.397 5.455 -1.784 1.00 0.00 N ATOM 532 CZ ARG A 35 10.751 4.563 -2.723 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.566 3.546 -2.456 1.00 0.00 N ATOM 534 NH2 ARG A 35 10.287 4.674 -3.961 1.00 0.00 N ATOM 0 H ARG A 35 5.962 7.370 0.636 1.00 0.00 H new ATOM 0 HA ARG A 35 8.256 7.206 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.403 5.269 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.105 6.206 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.260 7.425 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.558 6.477 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.818 5.410 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.423 4.381 0.023 1.00 0.00 H new ATOM 0 HE ARG A 35 9.853 6.264 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.941 3.427 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.815 2.886 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.658 5.440 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.559 3.994 -4.671 1.00 0.00 H new ATOM 548 N GLY A 36 8.592 9.613 1.766 1.00 0.00 N ATOM 549 CA GLY A 36 8.859 10.962 1.317 1.00 0.00 C ATOM 550 C GLY A 36 7.572 11.556 0.778 1.00 0.00 C ATOM 551 O GLY A 36 6.619 11.739 1.528 1.00 0.00 O ATOM 0 H GLY A 36 8.804 9.449 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.239 11.567 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.627 10.958 0.544 1.00 0.00 H new ATOM 555 N ASP A 37 7.518 11.745 -0.534 1.00 0.00 N ATOM 556 CA ASP A 37 6.463 12.413 -1.293 1.00 0.00 C ATOM 557 C ASP A 37 5.598 11.397 -2.070 1.00 0.00 C ATOM 558 O ASP A 37 4.880 11.777 -2.995 1.00 0.00 O ATOM 559 CB ASP A 37 7.149 13.383 -2.276 1.00 0.00 C ATOM 560 CG ASP A 37 7.734 14.662 -1.677 1.00 0.00 C ATOM 561 OD1 ASP A 37 8.507 14.585 -0.696 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.558 15.743 -2.293 1.00 0.00 O ATOM 0 H ASP A 37 8.265 11.411 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 37 5.799 12.945 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.951 12.845 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.424 13.665 -3.039 1.00 0.00 H new ATOM 567 N LYS A 38 5.701 10.095 -1.763 1.00 0.00 N ATOM 568 CA LYS A 38 5.054 8.998 -2.484 1.00 0.00 C ATOM 569 C LYS A 38 4.026 8.374 -1.565 1.00 0.00 C ATOM 570 O LYS A 38 4.386 8.093 -0.418 1.00 0.00 O ATOM 571 CB LYS A 38 6.091 7.940 -2.897 1.00 0.00 C ATOM 572 CG LYS A 38 7.197 8.459 -3.817 1.00 0.00 C ATOM 573 CD LYS A 38 6.704 9.017 -5.159 1.00 0.00 C ATOM 574 CE LYS A 38 6.066 7.970 -6.086 1.00 0.00 C ATOM 575 NZ LYS A 38 6.567 8.086 -7.470 1.00 0.00 N ATOM 0 H LYS A 38 6.260 9.769 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 38 4.579 9.379 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.548 7.528 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.575 7.120 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.749 9.240 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.899 7.649 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.976 9.805 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.544 9.479 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.277 6.971 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.983 8.091 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.114 7.363 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.343 9.031 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.597 7.945 -7.479 1.00 0.00 H new ATOM 589 N ILE A 39 2.798 8.151 -2.034 1.00 0.00 N ATOM 590 CA ILE A 39 1.684 7.645 -1.227 1.00 0.00 C ATOM 591 C ILE A 39 1.020 6.488 -1.962 1.00 0.00 C ATOM 592 O ILE A 39 0.389 6.674 -3.005 1.00 0.00 O ATOM 593 CB ILE A 39 0.646 8.731 -0.879 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.348 9.989 -0.337 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.370 8.140 0.127 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.387 11.085 0.100 1.00 0.00 C ATOM 0 H ILE A 39 2.543 8.320 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 39 2.095 7.304 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 39 0.103 9.040 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.975 9.708 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.011 10.385 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.111 8.897 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.869 7.281 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.153 7.825 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.954 11.939 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.223 11.394 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.259 10.708 0.892 1.00 0.00 H new ATOM 608 N VAL A 40 1.154 5.290 -1.405 1.00 0.00 N ATOM 609 CA VAL A 40 0.331 4.155 -1.771 1.00 0.00 C ATOM 610 C VAL A 40 -0.974 4.253 -0.973 1.00 0.00 C ATOM 611 O VAL A 40 -0.972 4.681 0.181 1.00 0.00 O ATOM 612 CB VAL A 40 1.098 2.848 -1.461 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.384 1.600 -2.007 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.498 2.832 -2.072 1.00 0.00 C ATOM 0 H VAL A 40 1.843 5.083 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 40 0.099 4.152 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 40 1.148 2.822 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.966 0.711 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.606 1.521 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.286 1.681 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.992 1.893 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.423 2.928 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.079 3.664 -1.673 1.00 0.00 H new ATOM 624 N TYR A 41 -2.066 3.786 -1.566 1.00 0.00 N ATOM 625 CA TYR A 41 -3.385 3.545 -0.999 1.00 0.00 C ATOM 626 C TYR A 41 -3.718 2.065 -1.188 1.00 0.00 C ATOM 627 O TYR A 41 -3.075 1.396 -2.002 1.00 0.00 O ATOM 628 CB TYR A 41 -4.407 4.406 -1.757 1.00 0.00 C ATOM 629 CG TYR A 41 -4.282 5.883 -1.465 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.263 6.647 -2.071 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.167 6.483 -0.553 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.147 8.016 -1.769 1.00 0.00 C ATOM 633 CE2 TYR A 41 -5.048 7.842 -0.235 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.033 8.615 -0.841 1.00 0.00 C ATOM 635 OH TYR A 41 -3.907 9.927 -0.501 1.00 0.00 O ATOM 0 H TYR A 41 -2.046 3.542 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.409 3.800 0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.285 4.243 -2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.413 4.076 -1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.576 6.184 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.945 5.892 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.382 8.611 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.729 8.296 0.470 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.602 10.165 0.147 1.00 0.00 H new ATOM 645 N HIS A 42 -4.731 1.551 -0.492 1.00 0.00 N ATOM 646 CA HIS A 42 -5.315 0.249 -0.800 1.00 0.00 C ATOM 647 C HIS A 42 -6.835 0.293 -0.673 1.00 0.00 C ATOM 648 O HIS A 42 -7.395 1.208 -0.049 1.00 0.00 O ATOM 649 CB HIS A 42 -4.653 -0.855 0.027 1.00 0.00 C ATOM 650 CG HIS A 42 -5.002 -0.891 1.486 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.079 -1.525 2.062 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.224 -0.388 2.488 1.00 0.00 C ATOM 653 CE1 HIS A 42 -5.944 -1.403 3.394 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.841 -0.693 3.701 1.00 0.00 N ATOM 0 H HIS A 42 -5.168 2.025 0.299 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.111 0.000 -1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.917 -1.817 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.572 -0.749 -0.064 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.837 -1.998 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.296 0.150 2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.627 -1.818 4.120 1.00 0.00 H new ATOM 662 N THR A 43 -7.508 -0.672 -1.299 1.00 0.00 N ATOM 663 CA THR A 43 -8.956 -0.753 -1.259 1.00 0.00 C ATOM 664 C THR A 43 -9.388 -1.401 0.060 1.00 0.00 C ATOM 665 O THR A 43 -8.669 -2.219 0.644 1.00 0.00 O ATOM 666 CB THR A 43 -9.496 -1.455 -2.521 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.989 -2.753 -2.674 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.064 -0.696 -3.781 1.00 0.00 C ATOM 0 H THR A 43 -7.063 -1.411 -1.843 1.00 0.00 H new ATOM 0 HA THR A 43 -9.399 0.243 -1.277 1.00 0.00 H new ATOM 0 HB THR A 43 -10.579 -1.482 -2.398 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.559 -3.386 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.453 -1.204 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.456 0.321 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.976 -0.664 -3.831 1.00 0.00 H new ATOM 676 N LEU A 44 -10.576 -1.027 0.541 1.00 0.00 N ATOM 677 CA LEU A 44 -11.162 -1.561 1.772 1.00 0.00 C ATOM 678 C LEU A 44 -11.747 -2.964 1.621 1.00 0.00 C ATOM 679 O LEU A 44 -12.211 -3.546 2.599 1.00 0.00 O ATOM 680 CB LEU A 44 -12.270 -0.618 2.255 1.00 0.00 C ATOM 681 CG LEU A 44 -11.791 0.772 2.711 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.965 1.543 3.326 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.649 0.670 3.721 1.00 0.00 C ATOM 0 H LEU A 44 -11.166 -0.335 0.079 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.348 -1.632 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.993 -0.490 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.796 -1.094 3.083 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.415 1.305 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.625 2.527 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.754 1.657 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.352 0.993 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.337 1.671 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.987 0.118 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.807 0.148 3.266 1.00 0.00 H new ATOM 695 N GLU A 45 -11.751 -3.496 0.412 1.00 0.00 N ATOM 696 CA GLU A 45 -12.364 -4.757 0.033 1.00 0.00 C ATOM 697 C GLU A 45 -11.450 -5.527 -0.908 1.00 0.00 C ATOM 698 O GLU A 45 -10.459 -4.978 -1.400 1.00 0.00 O ATOM 699 CB GLU A 45 -13.717 -4.481 -0.625 1.00 0.00 C ATOM 700 CG GLU A 45 -13.618 -3.608 -1.888 1.00 0.00 C ATOM 701 CD GLU A 45 -14.999 -3.110 -2.308 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.490 -2.158 -1.651 1.00 0.00 O ATOM 703 OE2 GLU A 45 -15.615 -3.685 -3.236 1.00 0.00 O ATOM 0 H GLU A 45 -11.301 -3.033 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.520 -5.369 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.186 -5.430 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.370 -3.990 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.961 -2.759 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.171 -4.182 -2.699 1.00 0.00 H new ATOM 710 N SER A 46 -11.810 -6.788 -1.146 1.00 0.00 N ATOM 711 CA SER A 46 -11.038 -7.768 -1.872 1.00 0.00 C ATOM 712 C SER A 46 -11.556 -7.901 -3.311 1.00 0.00 C ATOM 713 O SER A 46 -12.771 -7.981 -3.499 1.00 0.00 O ATOM 714 CB SER A 46 -11.083 -9.099 -1.119 1.00 0.00 C ATOM 715 OG SER A 46 -12.288 -9.341 -0.398 1.00 0.00 O ATOM 0 H SER A 46 -12.699 -7.163 -0.815 1.00 0.00 H new ATOM 0 HA SER A 46 -9.998 -7.448 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.936 -9.909 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.246 -9.133 -0.421 1.00 0.00 H new ATOM 0 HG SER A 46 -12.232 -10.211 0.050 1.00 0.00 H new ATOM 721 N PRO A 47 -10.677 -8.037 -4.322 1.00 0.00 N ATOM 722 CA PRO A 47 -9.227 -8.020 -4.189 1.00 0.00 C ATOM 723 C PRO A 47 -8.738 -6.640 -3.780 1.00 0.00 C ATOM 724 O PRO A 47 -9.268 -5.624 -4.241 1.00 0.00 O ATOM 725 CB PRO A 47 -8.658 -8.421 -5.545 1.00 0.00 C ATOM 726 CG PRO A 47 -9.791 -8.171 -6.542 1.00 0.00 C ATOM 727 CD PRO A 47 -11.076 -8.078 -5.718 1.00 0.00 C ATOM 0 HA PRO A 47 -8.899 -8.711 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.777 -7.830 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.352 -9.467 -5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.621 -7.251 -7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.854 -8.980 -7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.642 -7.186 -5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.722 -8.935 -5.911 1.00 0.00 H new ATOM 735 N VAL A 48 -7.765 -6.646 -2.868 1.00 0.00 N ATOM 736 CA VAL A 48 -7.162 -5.423 -2.393 1.00 0.00 C ATOM 737 C VAL A 48 -6.211 -4.969 -3.484 1.00 0.00 C ATOM 738 O VAL A 48 -5.131 -5.527 -3.693 1.00 0.00 O ATOM 739 CB VAL A 48 -6.548 -5.557 -0.999 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.784 -4.305 -0.566 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.631 -5.802 0.056 1.00 0.00 C ATOM 0 H VAL A 48 -7.384 -7.494 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.909 -4.647 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.860 -6.400 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.370 -4.458 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.974 -4.112 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.462 -3.452 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.168 -5.894 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.330 -4.966 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.167 -6.721 -0.180 1.00 0.00 H new ATOM 751 N GLU A 49 -6.669 -3.986 -4.238 1.00 0.00 N ATOM 752 CA GLU A 49 -5.809 -3.277 -5.155 1.00 0.00 C ATOM 753 C GLU A 49 -5.063 -2.214 -4.367 1.00 0.00 C ATOM 754 O GLU A 49 -5.489 -1.786 -3.292 1.00 0.00 O ATOM 755 CB GLU A 49 -6.592 -2.765 -6.370 1.00 0.00 C ATOM 756 CG GLU A 49 -7.083 -3.997 -7.151 1.00 0.00 C ATOM 757 CD GLU A 49 -7.323 -3.807 -8.646 1.00 0.00 C ATOM 758 OE1 GLU A 49 -7.530 -2.684 -9.157 1.00 0.00 O ATOM 759 OE2 GLU A 49 -7.357 -4.849 -9.347 1.00 0.00 O ATOM 0 H GLU A 49 -7.636 -3.663 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.061 -3.937 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.434 -2.150 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.959 -2.139 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.352 -4.796 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.013 -4.340 -6.697 1.00 0.00 H new ATOM 766 N PHE A 50 -3.909 -1.837 -4.902 1.00 0.00 N ATOM 767 CA PHE A 50 -2.924 -0.999 -4.256 1.00 0.00 C ATOM 768 C PHE A 50 -2.622 0.085 -5.261 1.00 0.00 C ATOM 769 O PHE A 50 -2.296 -0.254 -6.395 1.00 0.00 O ATOM 770 CB PHE A 50 -1.661 -1.817 -3.973 1.00 0.00 C ATOM 771 CG PHE A 50 -1.865 -2.978 -3.024 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.996 -2.735 -1.647 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.901 -4.300 -3.504 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.174 -3.804 -0.755 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.051 -5.367 -2.611 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.202 -5.124 -1.235 1.00 0.00 C ATOM 0 H PHE A 50 -3.628 -2.123 -5.840 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.275 -0.595 -3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.272 -2.200 -4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.900 -1.155 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.960 -1.722 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.813 -4.492 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.290 -3.612 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.051 -6.382 -2.981 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.339 -5.948 -0.550 1.00 0.00 H new ATOM 786 N HIS A 51 -2.768 1.354 -4.912 1.00 0.00 N ATOM 787 CA HIS A 51 -2.620 2.433 -5.877 1.00 0.00 C ATOM 788 C HIS A 51 -1.555 3.362 -5.338 1.00 0.00 C ATOM 789 O HIS A 51 -1.720 3.941 -4.272 1.00 0.00 O ATOM 790 CB HIS A 51 -3.933 3.166 -6.140 1.00 0.00 C ATOM 791 CG HIS A 51 -5.210 2.392 -5.942 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.345 2.832 -5.301 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.467 1.141 -6.414 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.264 1.855 -5.392 1.00 0.00 C ATOM 795 NE2 HIS A 51 -6.779 0.814 -6.091 1.00 0.00 N ATOM 0 H HIS A 51 -2.989 1.663 -3.965 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.325 2.030 -6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.966 4.042 -5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.916 3.530 -7.167 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.467 3.734 -4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.771 0.511 -6.948 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.254 1.900 -4.963 1.00 0.00 H new ATOM 803 N LEU A 52 -0.437 3.458 -6.035 1.00 0.00 N ATOM 804 CA LEU A 52 0.614 4.418 -5.723 1.00 0.00 C ATOM 805 C LEU A 52 0.386 5.624 -6.601 1.00 0.00 C ATOM 806 O LEU A 52 0.428 5.474 -7.818 1.00 0.00 O ATOM 807 CB LEU A 52 1.994 3.809 -5.988 1.00 0.00 C ATOM 808 CG LEU A 52 3.150 4.819 -5.885 1.00 0.00 C ATOM 809 CD1 LEU A 52 3.236 5.608 -4.579 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.478 4.081 -6.096 1.00 0.00 C ATOM 0 H LEU A 52 -0.228 2.868 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 52 0.583 4.698 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.166 3.000 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.000 3.365 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 52 2.947 5.559 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.087 6.288 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.320 6.182 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.362 4.918 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.303 4.789 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.593 3.312 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.483 3.616 -7.082 1.00 0.00 H new ATOM 822 N ASP A 53 0.141 6.795 -6.013 1.00 0.00 N ATOM 823 CA ASP A 53 0.085 8.098 -6.686 1.00 0.00 C ATOM 824 C ASP A 53 -1.175 8.247 -7.562 1.00 0.00 C ATOM 825 O ASP A 53 -1.625 9.354 -7.856 1.00 0.00 O ATOM 826 CB ASP A 53 1.416 8.334 -7.436 1.00 0.00 C ATOM 827 CG ASP A 53 1.521 9.670 -8.160 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.017 10.708 -7.663 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.206 9.707 -9.204 1.00 0.00 O ATOM 0 H ASP A 53 -0.032 6.867 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.017 8.892 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.236 8.260 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.553 7.533 -8.162 1.00 0.00 H new ATOM 834 N GLY A 54 -1.833 7.135 -7.881 1.00 0.00 N ATOM 835 CA GLY A 54 -2.967 6.991 -8.773 1.00 0.00 C ATOM 836 C GLY A 54 -2.748 5.832 -9.749 1.00 0.00 C ATOM 837 O GLY A 54 -3.697 5.349 -10.375 1.00 0.00 O ATOM 0 H GLY A 54 -1.557 6.237 -7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.873 6.817 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.118 7.917 -9.329 1.00 0.00 H new ATOM 841 N GLU A 55 -1.511 5.351 -9.866 1.00 0.00 N ATOM 842 CA GLU A 55 -1.128 4.164 -10.600 1.00 0.00 C ATOM 843 C GLU A 55 -1.453 2.989 -9.712 1.00 0.00 C ATOM 844 O GLU A 55 -0.800 2.723 -8.710 1.00 0.00 O ATOM 845 CB GLU A 55 0.358 4.200 -10.955 1.00 0.00 C ATOM 846 CG GLU A 55 0.509 5.150 -12.137 1.00 0.00 C ATOM 847 CD GLU A 55 1.954 5.581 -12.394 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.871 4.724 -12.355 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.199 6.786 -12.634 1.00 0.00 O ATOM 0 H GLU A 55 -0.713 5.809 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.667 4.093 -11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.949 4.543 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.718 3.204 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.118 4.668 -13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.100 6.037 -11.960 1.00 0.00 H new ATOM 856 N VAL A 56 -2.541 2.336 -10.055 1.00 0.00 N ATOM 857 CA VAL A 56 -2.907 1.047 -9.510 1.00 0.00 C ATOM 858 C VAL A 56 -1.992 -0.073 -9.983 1.00 0.00 C ATOM 859 O VAL A 56 -1.718 -0.247 -11.173 1.00 0.00 O ATOM 860 CB VAL A 56 -4.415 0.834 -9.517 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.104 1.284 -10.772 1.00 0.00 C ATOM 862 CG2 VAL A 56 -4.812 -0.624 -9.224 1.00 0.00 C ATOM 0 H VAL A 56 -3.211 2.694 -10.736 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.697 1.024 -8.441 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.760 1.476 -8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.174 1.094 -10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.935 2.351 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.704 0.734 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.898 -0.716 -9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.380 -1.278 -9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.440 -0.912 -8.241 1.00 0.00 H new ATOM 872 N LEU A 57 -1.470 -0.763 -8.974 1.00 0.00 N ATOM 873 CA LEU A 57 -0.364 -1.698 -9.029 1.00 0.00 C ATOM 874 C LEU A 57 -0.863 -3.104 -8.722 1.00 0.00 C ATOM 875 O LEU A 57 -1.872 -3.280 -8.027 1.00 0.00 O ATOM 876 CB LEU A 57 0.681 -1.321 -7.963 1.00 0.00 C ATOM 877 CG LEU A 57 1.031 0.175 -7.863 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.980 0.363 -6.676 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.587 0.741 -9.180 1.00 0.00 C ATOM 0 H LEU A 57 -1.841 -0.673 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 57 0.077 -1.663 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.317 -1.655 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.597 -1.876 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 57 0.124 0.753 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.243 1.417 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.489 0.030 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.884 -0.224 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.817 1.799 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.495 0.203 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.844 0.623 -9.969 1.00 0.00 H new ATOM 891 N SER A 58 -0.081 -4.100 -9.139 1.00 0.00 N ATOM 892 CA SER A 58 -0.284 -5.464 -8.673 1.00 0.00 C ATOM 893 C SER A 58 0.398 -5.627 -7.320 1.00 0.00 C ATOM 894 O SER A 58 1.315 -4.873 -7.002 1.00 0.00 O ATOM 895 CB SER A 58 0.274 -6.461 -9.687 1.00 0.00 C ATOM 896 OG SER A 58 -0.488 -6.408 -10.870 1.00 0.00 O ATOM 0 H SER A 58 0.693 -3.985 -9.794 1.00 0.00 H new ATOM 0 HA SER A 58 -1.350 -5.663 -8.565 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.317 -6.230 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.251 -7.469 -9.272 1.00 0.00 H new ATOM 0 HG SER A 58 -0.128 -7.047 -11.520 1.00 0.00 H new ATOM 902 N LEU A 59 0.017 -6.647 -6.550 1.00 0.00 N ATOM 903 CA LEU A 59 0.660 -6.972 -5.274 1.00 0.00 C ATOM 904 C LEU A 59 2.123 -7.339 -5.513 1.00 0.00 C ATOM 905 O LEU A 59 3.001 -7.017 -4.715 1.00 0.00 O ATOM 906 CB LEU A 59 -0.080 -8.153 -4.619 1.00 0.00 C ATOM 907 CG LEU A 59 0.624 -8.721 -3.368 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.733 -7.720 -2.218 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.097 -9.971 -2.862 1.00 0.00 C ATOM 0 H LEU A 59 -0.749 -7.274 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 59 0.617 -6.108 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.084 -7.831 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.192 -8.950 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 59 1.636 -8.964 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.238 -8.189 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.304 -6.851 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.265 -7.405 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.416 -10.355 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.125 -9.718 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.096 -10.732 -3.642 1.00 0.00 H new ATOM 921 N ASP A 60 2.373 -8.060 -6.602 1.00 0.00 N ATOM 922 CA ASP A 60 3.701 -8.525 -6.974 1.00 0.00 C ATOM 923 C ASP A 60 4.560 -7.344 -7.410 1.00 0.00 C ATOM 924 O ASP A 60 5.681 -7.172 -6.926 1.00 0.00 O ATOM 925 CB ASP A 60 3.563 -9.606 -8.071 1.00 0.00 C ATOM 926 CG ASP A 60 4.035 -11.019 -7.691 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.493 -11.233 -6.543 1.00 0.00 O ATOM 928 OD2 ASP A 60 3.889 -11.943 -8.522 1.00 0.00 O ATOM 0 H ASP A 60 1.646 -8.341 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 60 4.206 -8.980 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.516 -9.662 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.125 -9.280 -8.946 1.00 0.00 H new ATOM 933 N LYS A 61 3.997 -6.467 -8.247 1.00 0.00 N ATOM 934 CA LYS A 61 4.677 -5.250 -8.666 1.00 0.00 C ATOM 935 C LYS A 61 4.980 -4.380 -7.471 1.00 0.00 C ATOM 936 O LYS A 61 6.084 -3.847 -7.393 1.00 0.00 O ATOM 937 CB LYS A 61 3.821 -4.428 -9.643 1.00 0.00 C ATOM 938 CG LYS A 61 4.191 -4.693 -11.101 1.00 0.00 C ATOM 939 CD LYS A 61 3.916 -3.451 -11.954 1.00 0.00 C ATOM 940 CE LYS A 61 4.428 -3.669 -13.376 1.00 0.00 C ATOM 941 NZ LYS A 61 4.304 -2.444 -14.185 1.00 0.00 N ATOM 0 H LYS A 61 3.066 -6.584 -8.647 1.00 0.00 H new ATOM 0 HA LYS A 61 5.597 -5.558 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.768 -4.665 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.944 -3.367 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.244 -4.965 -11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.617 -5.538 -11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.846 -3.242 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.403 -2.582 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.472 -3.982 -13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.867 -4.476 -13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.660 -2.625 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.305 -2.160 -14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.860 -1.681 -13.748 1.00 0.00 H new ATOM 955 N LEU A 62 3.998 -4.181 -6.597 1.00 0.00 N ATOM 956 CA LEU A 62 4.056 -3.273 -5.471 1.00 0.00 C ATOM 957 C LEU A 62 5.340 -3.484 -4.695 1.00 0.00 C ATOM 958 O LEU A 62 6.088 -2.533 -4.520 1.00 0.00 O ATOM 959 CB LEU A 62 2.822 -3.469 -4.587 1.00 0.00 C ATOM 960 CG LEU A 62 2.858 -2.666 -3.276 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.921 -1.154 -3.530 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.589 -2.963 -2.487 1.00 0.00 C ATOM 0 H LEU A 62 3.106 -4.671 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 62 4.055 -2.244 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.934 -3.184 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.722 -4.528 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 62 3.753 -2.960 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.945 -0.626 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.821 -0.918 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.042 -0.843 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.601 -2.400 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.718 -2.673 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.539 -4.029 -2.267 1.00 0.00 H new ATOM 974 N LYS A 63 5.635 -4.715 -4.278 1.00 0.00 N ATOM 975 CA LYS A 63 6.835 -4.997 -3.503 1.00 0.00 C ATOM 976 C LYS A 63 8.080 -4.514 -4.260 1.00 0.00 C ATOM 977 O LYS A 63 8.873 -3.745 -3.716 1.00 0.00 O ATOM 978 CB LYS A 63 6.889 -6.497 -3.146 1.00 0.00 C ATOM 979 CG LYS A 63 5.661 -6.930 -2.321 1.00 0.00 C ATOM 980 CD LYS A 63 5.577 -8.444 -2.091 1.00 0.00 C ATOM 981 CE LYS A 63 4.188 -8.782 -1.532 1.00 0.00 C ATOM 982 NZ LYS A 63 3.933 -10.234 -1.411 1.00 0.00 N ATOM 0 H LYS A 63 5.055 -5.533 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 63 6.809 -4.447 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.940 -7.087 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.798 -6.705 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.687 -6.425 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.756 -6.598 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.748 -8.978 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.352 -8.764 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.079 -8.320 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.429 -8.341 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.978 -10.388 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.006 -10.679 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.635 -10.658 -0.771 1.00 0.00 H new ATOM 996 N SER A 64 8.177 -4.854 -5.549 1.00 0.00 N ATOM 997 CA SER A 64 9.260 -4.409 -6.430 1.00 0.00 C ATOM 998 C SER A 64 9.326 -2.878 -6.600 1.00 0.00 C ATOM 999 O SER A 64 10.407 -2.342 -6.853 1.00 0.00 O ATOM 1000 CB SER A 64 9.134 -5.076 -7.802 1.00 0.00 C ATOM 1001 OG SER A 64 9.280 -6.478 -7.737 1.00 0.00 O ATOM 0 H SER A 64 7.496 -5.454 -6.015 1.00 0.00 H new ATOM 0 HA SER A 64 10.189 -4.711 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.162 -4.835 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.889 -4.666 -8.472 1.00 0.00 H new ATOM 0 HG SER A 64 9.190 -6.858 -8.636 1.00 0.00 H new ATOM 1007 N LEU A 65 8.202 -2.163 -6.464 1.00 0.00 N ATOM 1008 CA LEU A 65 8.126 -0.700 -6.542 1.00 0.00 C ATOM 1009 C LEU A 65 8.455 -0.026 -5.221 1.00 0.00 C ATOM 1010 O LEU A 65 8.794 1.159 -5.211 1.00 0.00 O ATOM 1011 CB LEU A 65 6.713 -0.220 -6.926 1.00 0.00 C ATOM 1012 CG LEU A 65 6.188 -0.604 -8.317 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.017 0.302 -8.654 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.269 -0.445 -9.387 1.00 0.00 C ATOM 0 H LEU A 65 7.296 -2.599 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 65 8.858 -0.427 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.014 -0.605 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.694 0.867 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 65 5.883 -1.650 -8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.630 0.045 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.231 0.173 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.349 1.340 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.863 -0.725 -10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.600 0.593 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.115 -1.089 -9.148 1.00 0.00 H new ATOM 1026 N LEU A 66 8.285 -0.740 -4.111 1.00 0.00 N ATOM 1027 CA LEU A 66 8.562 -0.184 -2.791 1.00 0.00 C ATOM 1028 C LEU A 66 10.044 -0.326 -2.449 1.00 0.00 C ATOM 1029 O LEU A 66 10.536 0.367 -1.555 1.00 0.00 O ATOM 1030 CB LEU A 66 7.722 -0.907 -1.736 1.00 0.00 C ATOM 1031 CG LEU A 66 6.209 -0.654 -1.847 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.455 -1.633 -0.960 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.803 0.746 -1.423 1.00 0.00 C ATOM 0 H LEU A 66 7.956 -1.706 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 66 8.303 0.875 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.906 -1.979 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.058 -0.598 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 66 5.960 -0.783 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.384 -1.449 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.673 -2.653 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.767 -1.500 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.724 0.859 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.088 0.908 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.306 1.478 -2.055 1.00 0.00 H new ATOM 1045 N SER A 67 10.731 -1.249 -3.126 1.00 0.00 N ATOM 1046 CA SER A 67 12.149 -1.485 -2.962 1.00 0.00 C ATOM 1047 C SER A 67 12.982 -0.369 -3.595 1.00 0.00 C ATOM 1048 O SER A 67 14.216 -0.596 -3.673 1.00 0.00 O ATOM 1049 CB SER A 67 12.456 -2.870 -3.545 1.00 0.00 C ATOM 1050 OG SER A 67 13.728 -3.286 -3.085 1.00 0.00 O ATOM 0 H SER A 67 10.298 -1.862 -3.817 1.00 0.00 H new ATOM 0 HA SER A 67 12.423 -1.473 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.692 -3.585 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.442 -2.833 -4.634 1.00 0.00 H new ATOM 0 HG SER A 67 14.351 -2.530 -3.119 1.00 0.00 H new