USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 160:sc= -0.146 USER MOD Single : A 28 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 31 GLN : amide:sc= -0.721 X(o=-0.72,f=-1.1) USER MOD Single : A 33 SER OG : rot -43:sc= 0.137 USER MOD Single : A 36 TYR OH : rot 61:sc= 0.616 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00566) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.021) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00726) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00286 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.174 F(o=-0.75,f=-0.17) USER MOD Single : A 69 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.206 X(o=0.21,f=-0.15) USER MOD Single : A 74 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 75 SER OG : rot 5:sc= 0.322 USER MOD Single : A 79 LYS NZ :NH3+ 138:sc= 0.461 (180deg=-0.0275) USER MOD Single : A 80 ASN : amide:sc=-0.00504 X(o=-0.005,f=-0.14) USER MOD Single : A 82 GLN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 10.270 -2.486 -13.329 1.00 0.00 N ATOM 2 CA LEU A 14 11.669 -2.740 -12.939 1.00 0.00 C ATOM 3 C LEU A 14 12.098 -2.017 -11.655 1.00 0.00 C ATOM 4 O LEU A 14 13.198 -2.303 -11.180 1.00 0.00 O ATOM 5 CB LEU A 14 12.640 -2.446 -14.096 1.00 0.00 C ATOM 6 CG LEU A 14 12.558 -3.431 -15.271 1.00 0.00 C ATOM 7 CD1 LEU A 14 13.717 -3.167 -16.240 1.00 0.00 C ATOM 8 CD2 LEU A 14 12.617 -4.887 -14.807 1.00 0.00 C ATOM 0 HA LEU A 14 11.718 -3.804 -12.710 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.445 -1.440 -14.469 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.658 -2.450 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 14 11.599 -3.274 -15.765 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.660 -3.866 -17.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.651 -2.146 -16.616 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.665 -3.301 -15.719 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.556 -5.547 -15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.555 -5.064 -14.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.782 -5.089 -14.136 1.00 0.00 H new ATOM 20 N LEU A 15 11.286 -1.114 -11.070 1.00 0.00 N ATOM 21 CA LEU A 15 11.675 -0.474 -9.812 1.00 0.00 C ATOM 22 C LEU A 15 11.697 -1.527 -8.705 1.00 0.00 C ATOM 23 O LEU A 15 10.937 -2.503 -8.760 1.00 0.00 O ATOM 24 CB LEU A 15 10.764 0.694 -9.383 1.00 0.00 C ATOM 25 CG LEU A 15 10.426 1.724 -10.474 1.00 0.00 C ATOM 26 CD1 LEU A 15 9.712 2.926 -9.858 1.00 0.00 C ATOM 27 CD2 LEU A 15 11.646 2.225 -11.251 1.00 0.00 C ATOM 0 H LEU A 15 10.382 -0.822 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 15 12.661 -0.042 -9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.831 0.279 -9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.243 1.216 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 15 9.782 1.203 -11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.477 3.649 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.790 2.596 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.359 3.392 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.327 2.948 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.345 2.701 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.135 1.384 -11.742 1.00 0.00 H new ATOM 39 N ASP A 16 12.491 -1.280 -7.666 1.00 0.00 N ATOM 40 CA ASP A 16 12.724 -2.228 -6.568 1.00 0.00 C ATOM 41 C ASP A 16 12.297 -1.705 -5.189 1.00 0.00 C ATOM 42 O ASP A 16 12.179 -2.463 -4.226 1.00 0.00 O ATOM 43 CB ASP A 16 14.183 -2.656 -6.696 1.00 0.00 C ATOM 44 CG ASP A 16 14.629 -3.720 -5.703 1.00 0.00 C ATOM 45 OD1 ASP A 16 15.160 -3.452 -4.602 1.00 0.00 O ATOM 46 OD2 ASP A 16 14.621 -4.896 -6.143 1.00 0.00 O ATOM 0 H ASP A 16 13.001 -0.403 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 16 12.079 -3.103 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.349 -3.030 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.816 -1.777 -6.573 1.00 0.00 H new ATOM 51 N SER A 17 11.962 -0.414 -5.159 1.00 0.00 N ATOM 52 CA SER A 17 11.633 0.500 -4.071 1.00 0.00 C ATOM 53 C SER A 17 10.423 0.176 -3.206 1.00 0.00 C ATOM 54 O SER A 17 9.880 1.078 -2.561 1.00 0.00 O ATOM 55 CB SER A 17 11.542 1.891 -4.684 1.00 0.00 C ATOM 56 OG SER A 17 10.395 2.121 -5.489 1.00 0.00 O ATOM 0 H SER A 17 11.909 0.090 -6.044 1.00 0.00 H new ATOM 0 HA SER A 17 12.431 0.406 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.556 2.627 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.432 2.063 -5.289 1.00 0.00 H new ATOM 0 HG SER A 17 10.419 3.036 -5.838 1.00 0.00 H new ATOM 62 N TYR A 18 10.005 -1.083 -3.146 1.00 0.00 N ATOM 63 CA TYR A 18 8.925 -1.558 -2.305 1.00 0.00 C ATOM 64 C TYR A 18 9.024 -1.046 -0.863 1.00 0.00 C ATOM 65 O TYR A 18 7.996 -0.643 -0.324 1.00 0.00 O ATOM 66 CB TYR A 18 8.897 -3.091 -2.389 1.00 0.00 C ATOM 67 CG TYR A 18 8.047 -3.683 -3.501 1.00 0.00 C ATOM 68 CD1 TYR A 18 7.709 -2.973 -4.673 1.00 0.00 C ATOM 69 CD2 TYR A 18 7.526 -4.969 -3.298 1.00 0.00 C ATOM 70 CE1 TYR A 18 6.706 -3.498 -5.517 1.00 0.00 C ATOM 71 CE2 TYR A 18 6.549 -5.507 -4.142 1.00 0.00 C ATOM 72 CZ TYR A 18 6.100 -4.749 -5.238 1.00 0.00 C ATOM 73 OH TYR A 18 5.106 -5.251 -6.017 1.00 0.00 O ATOM 0 H TYR A 18 10.428 -1.824 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 18 7.980 -1.156 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.920 -3.447 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.537 -3.480 -1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.207 -2.047 -4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.888 -5.559 -2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.396 -2.939 -6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.145 -6.491 -3.955 1.00 0.00 H new ATOM 0 HH TYR A 18 4.821 -6.120 -5.664 1.00 0.00 H new ATOM 83 N GLU A 19 10.204 -1.003 -0.236 1.00 0.00 N ATOM 84 CA GLU A 19 10.372 -0.458 1.117 1.00 0.00 C ATOM 85 C GLU A 19 9.908 0.997 1.225 1.00 0.00 C ATOM 86 O GLU A 19 9.148 1.327 2.139 1.00 0.00 O ATOM 87 CB GLU A 19 11.835 -0.582 1.554 1.00 0.00 C ATOM 88 CG GLU A 19 12.138 -1.998 2.046 1.00 0.00 C ATOM 89 CD GLU A 19 13.627 -2.237 2.310 1.00 0.00 C ATOM 90 OE1 GLU A 19 14.433 -1.280 2.321 1.00 0.00 O ATOM 91 OE2 GLU A 19 13.974 -3.423 2.525 1.00 0.00 O ATOM 0 H GLU A 19 11.070 -1.345 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 19 9.739 -1.045 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.491 -0.334 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.044 0.136 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.578 -2.185 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.787 -2.716 1.305 1.00 0.00 H new ATOM 98 N ALA A 20 10.344 1.861 0.302 1.00 0.00 N ATOM 99 CA ALA A 20 9.965 3.269 0.263 1.00 0.00 C ATOM 100 C ALA A 20 8.448 3.380 0.141 1.00 0.00 C ATOM 101 O ALA A 20 7.804 4.106 0.897 1.00 0.00 O ATOM 102 CB ALA A 20 10.643 3.954 -0.915 1.00 0.00 C ATOM 0 H ALA A 20 10.980 1.593 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 20 10.286 3.760 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.356 5.005 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.725 3.875 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.334 3.472 -1.843 1.00 0.00 H new ATOM 108 N ILE A 21 7.872 2.624 -0.794 1.00 0.00 N ATOM 109 CA ILE A 21 6.444 2.624 -1.084 1.00 0.00 C ATOM 110 C ILE A 21 5.654 2.154 0.144 1.00 0.00 C ATOM 111 O ILE A 21 4.686 2.816 0.510 1.00 0.00 O ATOM 112 CB ILE A 21 6.184 1.781 -2.347 1.00 0.00 C ATOM 113 CG1 ILE A 21 6.918 2.401 -3.565 1.00 0.00 C ATOM 114 CG2 ILE A 21 4.677 1.681 -2.641 1.00 0.00 C ATOM 115 CD1 ILE A 21 6.945 1.488 -4.792 1.00 0.00 C ATOM 0 H ILE A 21 8.401 1.981 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 21 6.094 3.634 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 21 6.568 0.777 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.433 3.340 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.942 2.641 -3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.520 1.081 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.172 1.211 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.270 2.680 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.474 1.986 -5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.456 0.558 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.924 1.268 -5.104 1.00 0.00 H new ATOM 127 N LEU A 22 6.074 1.070 0.820 1.00 0.00 N ATOM 128 CA LEU A 22 5.469 0.522 2.042 1.00 0.00 C ATOM 129 C LEU A 22 5.278 1.578 3.133 1.00 0.00 C ATOM 130 O LEU A 22 4.418 1.397 4.000 1.00 0.00 O ATOM 131 CB LEU A 22 6.303 -0.653 2.606 1.00 0.00 C ATOM 132 CG LEU A 22 6.083 -2.019 1.928 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.033 -3.068 2.515 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.651 -2.509 2.108 1.00 0.00 C ATOM 0 H LEU A 22 6.882 0.529 0.513 1.00 0.00 H new ATOM 0 HA LEU A 22 4.484 0.160 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.359 -0.395 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.079 -0.756 3.668 1.00 0.00 H new ATOM 0 HG LEU A 22 6.283 -1.884 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.864 -4.027 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.065 -2.755 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.847 -3.169 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.533 -3.475 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.433 -2.613 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.962 -1.790 1.665 1.00 0.00 H new ATOM 146 N SER A 23 6.061 2.658 3.098 1.00 0.00 N ATOM 147 CA SER A 23 5.914 3.816 3.972 1.00 0.00 C ATOM 148 C SER A 23 4.591 4.543 3.688 1.00 0.00 C ATOM 149 O SER A 23 3.841 4.829 4.615 1.00 0.00 O ATOM 150 CB SER A 23 7.120 4.742 3.770 1.00 0.00 C ATOM 151 OG SER A 23 7.484 5.421 4.956 1.00 0.00 O ATOM 0 H SER A 23 6.836 2.750 2.441 1.00 0.00 H new ATOM 0 HA SER A 23 5.885 3.494 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.968 4.157 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.888 5.471 2.994 1.00 0.00 H new ATOM 0 HG SER A 23 8.410 5.734 4.883 1.00 0.00 H new ATOM 157 N GLY A 24 4.256 4.814 2.424 1.00 0.00 N ATOM 158 CA GLY A 24 3.025 5.518 2.082 1.00 0.00 C ATOM 159 C GLY A 24 1.784 4.654 2.292 1.00 0.00 C ATOM 160 O GLY A 24 0.721 5.188 2.601 1.00 0.00 O ATOM 0 H GLY A 24 4.826 4.553 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.944 6.419 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.070 5.838 1.041 1.00 0.00 H new ATOM 164 N ILE A 25 1.891 3.329 2.138 1.00 0.00 N ATOM 165 CA ILE A 25 0.749 2.415 2.270 1.00 0.00 C ATOM 166 C ILE A 25 0.155 2.499 3.681 1.00 0.00 C ATOM 167 O ILE A 25 -1.058 2.420 3.847 1.00 0.00 O ATOM 168 CB ILE A 25 1.161 0.957 1.966 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.996 0.760 0.694 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.069 0.029 1.902 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.399 1.344 -0.581 1.00 0.00 C ATOM 0 H ILE A 25 2.770 2.860 1.919 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.004 2.720 1.543 1.00 0.00 H new ATOM 0 HB ILE A 25 1.807 0.692 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.978 1.207 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.152 -0.308 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.254 -0.989 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.590 0.049 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.742 0.370 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.069 1.149 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.431 0.881 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.270 2.420 -0.463 1.00 0.00 H new ATOM 183 N GLU A 26 1.006 2.662 4.690 1.00 0.00 N ATOM 184 CA GLU A 26 0.651 2.816 6.092 1.00 0.00 C ATOM 185 C GLU A 26 -0.273 4.020 6.272 1.00 0.00 C ATOM 186 O GLU A 26 -1.356 3.884 6.852 1.00 0.00 O ATOM 187 CB GLU A 26 1.985 2.953 6.821 1.00 0.00 C ATOM 188 CG GLU A 26 1.979 3.349 8.293 1.00 0.00 C ATOM 189 CD GLU A 26 3.448 3.440 8.700 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.141 4.390 8.272 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.959 2.456 9.278 1.00 0.00 O ATOM 0 H GLU A 26 2.015 2.691 4.541 1.00 0.00 H new ATOM 0 HA GLU A 26 0.090 1.973 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.506 1.999 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.581 3.690 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.472 4.302 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.450 2.610 8.895 1.00 0.00 H new ATOM 198 N GLU A 27 0.130 5.175 5.738 1.00 0.00 N ATOM 199 CA GLU A 27 -0.653 6.399 5.776 1.00 0.00 C ATOM 200 C GLU A 27 -1.950 6.217 4.979 1.00 0.00 C ATOM 201 O GLU A 27 -3.012 6.677 5.406 1.00 0.00 O ATOM 202 CB GLU A 27 0.182 7.582 5.237 1.00 0.00 C ATOM 203 CG GLU A 27 0.079 8.774 6.196 1.00 0.00 C ATOM 204 CD GLU A 27 0.667 10.078 5.644 1.00 0.00 C ATOM 205 OE1 GLU A 27 1.898 10.185 5.433 1.00 0.00 O ATOM 206 OE2 GLU A 27 -0.131 11.038 5.529 1.00 0.00 O ATOM 0 H GLU A 27 1.025 5.281 5.261 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.922 6.624 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.224 7.282 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.174 7.869 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.970 8.938 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.590 8.523 7.126 1.00 0.00 H new ATOM 213 N THR A 28 -1.871 5.531 3.835 1.00 0.00 N ATOM 214 CA THR A 28 -2.995 5.308 2.939 1.00 0.00 C ATOM 215 C THR A 28 -4.061 4.470 3.636 1.00 0.00 C ATOM 216 O THR A 28 -5.212 4.890 3.689 1.00 0.00 O ATOM 217 CB THR A 28 -2.525 4.678 1.615 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.462 5.438 1.073 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.616 4.580 0.533 1.00 0.00 C ATOM 0 H THR A 28 -1.003 5.109 3.505 1.00 0.00 H new ATOM 0 HA THR A 28 -3.446 6.267 2.685 1.00 0.00 H new ATOM 0 HB THR A 28 -2.223 3.663 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.630 5.219 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.198 4.125 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.439 3.968 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.984 5.578 0.296 1.00 0.00 H new ATOM 227 N PHE A 29 -3.707 3.318 4.207 1.00 0.00 N ATOM 228 CA PHE A 29 -4.663 2.432 4.852 1.00 0.00 C ATOM 229 C PHE A 29 -5.417 3.210 5.940 1.00 0.00 C ATOM 230 O PHE A 29 -6.648 3.251 5.922 1.00 0.00 O ATOM 231 CB PHE A 29 -3.934 1.181 5.393 1.00 0.00 C ATOM 232 CG PHE A 29 -3.785 -0.014 4.450 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.372 0.145 3.116 1.00 0.00 C ATOM 234 CD2 PHE A 29 -4.050 -1.319 4.911 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.290 -0.965 2.253 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.941 -2.435 4.056 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.563 -2.271 2.712 1.00 0.00 C ATOM 0 H PHE A 29 -2.746 2.977 4.233 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.405 2.076 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.937 1.485 5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.463 0.842 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.115 1.128 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.343 -1.467 5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.013 -0.814 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.150 -3.424 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.484 -3.120 2.050 1.00 0.00 H new ATOM 247 N ALA A 30 -4.704 3.901 6.836 1.00 0.00 N ATOM 248 CA ALA A 30 -5.327 4.679 7.903 1.00 0.00 C ATOM 249 C ALA A 30 -6.236 5.807 7.393 1.00 0.00 C ATOM 250 O ALA A 30 -7.230 6.115 8.047 1.00 0.00 O ATOM 251 CB ALA A 30 -4.235 5.256 8.798 1.00 0.00 C ATOM 0 H ALA A 30 -3.685 3.934 6.839 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.972 4.000 8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.691 5.839 9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.650 4.443 9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.582 5.899 8.207 1.00 0.00 H new ATOM 257 N GLN A 31 -5.954 6.412 6.234 1.00 0.00 N ATOM 258 CA GLN A 31 -6.796 7.443 5.618 1.00 0.00 C ATOM 259 C GLN A 31 -8.170 6.917 5.165 1.00 0.00 C ATOM 260 O GLN A 31 -9.034 7.692 4.752 1.00 0.00 O ATOM 261 CB GLN A 31 -6.040 8.038 4.425 1.00 0.00 C ATOM 262 CG GLN A 31 -5.422 9.397 4.776 1.00 0.00 C ATOM 263 CD GLN A 31 -4.723 10.013 3.573 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.365 10.481 2.639 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.401 9.987 3.542 1.00 0.00 N ATOM 0 H GLN A 31 -5.120 6.195 5.688 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.998 8.202 6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.255 7.350 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.721 8.153 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.200 10.072 5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.709 9.275 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.880 9.595 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.902 10.359 2.734 1.00 0.00 H new ATOM 274 N PHE A 32 -8.367 5.604 5.218 1.00 0.00 N ATOM 275 CA PHE A 32 -9.612 4.895 4.944 1.00 0.00 C ATOM 276 C PHE A 32 -10.006 3.997 6.127 1.00 0.00 C ATOM 277 O PHE A 32 -10.820 3.089 5.965 1.00 0.00 O ATOM 278 CB PHE A 32 -9.423 4.095 3.654 1.00 0.00 C ATOM 279 CG PHE A 32 -9.304 4.929 2.400 1.00 0.00 C ATOM 280 CD1 PHE A 32 -8.050 5.394 1.977 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.443 5.202 1.626 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.939 6.127 0.791 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.329 5.913 0.419 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.069 6.377 -0.006 1.00 0.00 C ATOM 0 H PHE A 32 -7.613 4.965 5.470 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.432 5.602 4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.527 3.482 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.265 3.412 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.170 5.186 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.413 4.864 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.975 6.505 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.206 6.103 -0.182 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.972 6.919 -0.935 1.00 0.00 H new ATOM 294 N SER A 33 -9.399 4.205 7.303 1.00 0.00 N ATOM 295 CA SER A 33 -9.642 3.456 8.537 1.00 0.00 C ATOM 296 C SER A 33 -9.200 1.991 8.429 1.00 0.00 C ATOM 297 O SER A 33 -9.553 1.162 9.272 1.00 0.00 O ATOM 298 CB SER A 33 -11.125 3.599 8.915 1.00 0.00 C ATOM 299 OG SER A 33 -11.393 3.240 10.248 1.00 0.00 O ATOM 0 H SER A 33 -8.694 4.933 7.422 1.00 0.00 H new ATOM 0 HA SER A 33 -9.031 3.875 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.437 4.631 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.725 2.977 8.250 1.00 0.00 H new ATOM 0 HG SER A 33 -10.905 2.419 10.470 1.00 0.00 H new ATOM 305 N ILE A 34 -8.446 1.638 7.394 1.00 0.00 N ATOM 306 CA ILE A 34 -8.070 0.263 7.151 1.00 0.00 C ATOM 307 C ILE A 34 -6.961 -0.035 8.165 1.00 0.00 C ATOM 308 O ILE A 34 -5.985 0.726 8.224 1.00 0.00 O ATOM 309 CB ILE A 34 -7.607 0.059 5.698 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.614 0.636 4.675 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.370 -1.443 5.448 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.112 0.650 3.223 1.00 0.00 C ATOM 0 H ILE A 34 -8.083 2.298 6.707 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.909 -0.421 7.277 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.675 0.607 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.534 0.053 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.867 1.655 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.042 -1.593 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.603 -1.809 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.297 -1.991 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.882 1.070 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.210 1.258 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.888 -0.368 2.906 1.00 0.00 H new ATOM 324 N PRO A 35 -7.052 -1.132 8.935 1.00 0.00 N ATOM 325 CA PRO A 35 -5.943 -1.593 9.744 1.00 0.00 C ATOM 326 C PRO A 35 -4.811 -2.002 8.805 1.00 0.00 C ATOM 327 O PRO A 35 -4.898 -3.001 8.082 1.00 0.00 O ATOM 328 CB PRO A 35 -6.474 -2.755 10.579 1.00 0.00 C ATOM 329 CG PRO A 35 -7.651 -3.286 9.765 1.00 0.00 C ATOM 330 CD PRO A 35 -8.162 -2.070 8.998 1.00 0.00 C ATOM 0 HA PRO A 35 -5.545 -0.832 10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.713 -3.521 10.727 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.790 -2.424 11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.339 -4.081 9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.424 -3.703 10.410 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.491 -2.351 7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.020 -1.624 9.502 1.00 0.00 H new ATOM 338 N TYR A 36 -3.753 -1.200 8.775 1.00 0.00 N ATOM 339 CA TYR A 36 -2.494 -1.592 8.177 1.00 0.00 C ATOM 340 C TYR A 36 -1.940 -2.749 9.009 1.00 0.00 C ATOM 341 O TYR A 36 -2.295 -2.942 10.176 1.00 0.00 O ATOM 342 CB TYR A 36 -1.562 -0.374 8.125 1.00 0.00 C ATOM 343 CG TYR A 36 -0.244 -0.603 7.412 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.164 -0.575 6.001 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.923 -0.801 8.179 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.097 -0.705 5.390 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.174 -0.946 7.560 1.00 0.00 C ATOM 348 CZ TYR A 36 2.273 -0.868 6.156 1.00 0.00 C ATOM 349 OH TYR A 36 3.494 -0.906 5.549 1.00 0.00 O ATOM 0 H TYR A 36 -3.750 -0.258 9.167 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.606 -1.935 7.148 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.087 0.445 7.632 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.354 -0.051 9.145 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.055 -0.456 5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.853 -0.842 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.167 -0.680 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.058 -1.117 8.157 1.00 0.00 H new ATOM 0 HH TYR A 36 3.650 -0.063 5.074 1.00 0.00 H new ATOM 359 N ASP A 37 -1.085 -3.547 8.396 1.00 0.00 N ATOM 360 CA ASP A 37 -0.256 -4.515 9.088 1.00 0.00 C ATOM 361 C ASP A 37 0.981 -4.672 8.235 1.00 0.00 C ATOM 362 O ASP A 37 0.862 -5.097 7.086 1.00 0.00 O ATOM 363 CB ASP A 37 -0.963 -5.866 9.267 1.00 0.00 C ATOM 364 CG ASP A 37 -0.234 -6.748 10.284 1.00 0.00 C ATOM 365 OD1 ASP A 37 1.005 -6.644 10.402 1.00 0.00 O ATOM 366 OD2 ASP A 37 -0.923 -7.545 10.962 1.00 0.00 O ATOM 0 H ASP A 37 -0.945 -3.540 7.386 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.024 -4.170 10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.989 -5.701 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.015 -6.381 8.308 1.00 0.00 H new ATOM 371 N LYS A 38 2.144 -4.278 8.751 1.00 0.00 N ATOM 372 CA LYS A 38 3.408 -4.434 8.047 1.00 0.00 C ATOM 373 C LYS A 38 3.552 -5.872 7.555 1.00 0.00 C ATOM 374 O LYS A 38 3.950 -6.052 6.406 1.00 0.00 O ATOM 375 CB LYS A 38 4.553 -4.008 8.958 1.00 0.00 C ATOM 376 CG LYS A 38 5.913 -4.142 8.265 1.00 0.00 C ATOM 377 CD LYS A 38 6.193 -3.262 7.032 1.00 0.00 C ATOM 378 CE LYS A 38 6.251 -1.770 7.384 1.00 0.00 C ATOM 379 NZ LYS A 38 7.457 -1.400 8.165 1.00 0.00 N ATOM 0 H LYS A 38 2.233 -3.842 9.669 1.00 0.00 H new ATOM 0 HA LYS A 38 3.435 -3.791 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.404 -2.974 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.544 -4.617 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.686 -3.933 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.032 -5.183 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.138 -3.564 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.416 -3.427 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.228 -1.185 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.361 -1.503 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.455 -0.375 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.452 -1.908 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.310 -1.657 7.629 1.00 0.00 H new ATOM 393 N GLU A 39 3.182 -6.863 8.371 1.00 0.00 N ATOM 394 CA GLU A 39 3.291 -8.269 8.014 1.00 0.00 C ATOM 395 C GLU A 39 2.397 -8.561 6.812 1.00 0.00 C ATOM 396 O GLU A 39 2.885 -8.872 5.727 1.00 0.00 O ATOM 397 CB GLU A 39 2.900 -9.183 9.184 1.00 0.00 C ATOM 398 CG GLU A 39 3.750 -9.011 10.442 1.00 0.00 C ATOM 399 CD GLU A 39 3.439 -10.160 11.403 1.00 0.00 C ATOM 400 OE1 GLU A 39 2.516 -10.019 12.240 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.088 -11.225 11.280 1.00 0.00 O ATOM 0 H GLU A 39 2.797 -6.705 9.302 1.00 0.00 H new ATOM 0 HA GLU A 39 4.332 -8.474 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.857 -8.997 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.968 -10.220 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.809 -9.009 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.535 -8.053 10.916 1.00 0.00 H new ATOM 408 N LYS A 40 1.074 -8.458 6.983 1.00 0.00 N ATOM 409 CA LYS A 40 0.131 -8.881 5.953 1.00 0.00 C ATOM 410 C LYS A 40 0.329 -8.085 4.674 1.00 0.00 C ATOM 411 O LYS A 40 0.053 -8.587 3.586 1.00 0.00 O ATOM 412 CB LYS A 40 -1.321 -8.773 6.436 1.00 0.00 C ATOM 413 CG LYS A 40 -1.512 -9.326 7.859 1.00 0.00 C ATOM 414 CD LYS A 40 -2.904 -9.900 8.118 1.00 0.00 C ATOM 415 CE LYS A 40 -3.994 -8.825 8.030 1.00 0.00 C ATOM 416 NZ LYS A 40 -4.657 -8.784 6.709 1.00 0.00 N ATOM 0 H LYS A 40 0.637 -8.085 7.826 1.00 0.00 H new ATOM 0 HA LYS A 40 0.333 -9.931 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.632 -7.729 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.970 -9.315 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.770 -10.104 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.319 -8.529 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.112 -10.687 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.928 -10.361 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.742 -9.010 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.554 -7.850 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.417 -8.075 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.961 -8.530 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.060 -9.718 6.493 1.00 0.00 H new ATOM 430 N VAL A 41 0.729 -6.818 4.774 1.00 0.00 N ATOM 431 CA VAL A 41 0.958 -5.975 3.615 1.00 0.00 C ATOM 432 C VAL A 41 2.239 -6.415 2.905 1.00 0.00 C ATOM 433 O VAL A 41 2.150 -6.690 1.710 1.00 0.00 O ATOM 434 CB VAL A 41 0.908 -4.492 4.017 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.332 -3.572 2.872 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.530 -4.114 4.428 1.00 0.00 C ATOM 0 H VAL A 41 0.902 -6.352 5.665 1.00 0.00 H new ATOM 0 HA VAL A 41 0.161 -6.093 2.881 1.00 0.00 H new ATOM 0 HB VAL A 41 1.602 -4.361 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.281 -2.534 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.353 -3.809 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.664 -3.716 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.563 -3.062 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.205 -4.284 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.840 -4.728 5.273 1.00 0.00 H new ATOM 446 N ARG A 42 3.400 -6.479 3.576 1.00 0.00 N ATOM 447 CA ARG A 42 4.664 -6.857 2.930 1.00 0.00 C ATOM 448 C ARG A 42 4.570 -8.260 2.328 1.00 0.00 C ATOM 449 O ARG A 42 5.072 -8.465 1.231 1.00 0.00 O ATOM 450 CB ARG A 42 5.857 -6.699 3.900 1.00 0.00 C ATOM 451 CG ARG A 42 6.035 -7.859 4.876 1.00 0.00 C ATOM 452 CD ARG A 42 7.007 -7.523 5.995 1.00 0.00 C ATOM 453 NE ARG A 42 8.402 -7.402 5.562 1.00 0.00 N ATOM 454 CZ ARG A 42 9.458 -7.659 6.337 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.314 -7.900 7.634 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.664 -7.674 5.799 1.00 0.00 N ATOM 0 H ARG A 42 3.488 -6.272 4.571 1.00 0.00 H new ATOM 0 HA ARG A 42 4.848 -6.172 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.771 -6.587 3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.727 -5.778 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.068 -8.123 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.394 -8.735 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.700 -6.586 6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.942 -8.295 6.762 1.00 0.00 H new ATOM 0 HE ARG A 42 8.578 -7.101 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.385 -7.891 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.133 -8.094 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.780 -7.491 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.479 -7.869 6.380 1.00 0.00 H new ATOM 470 N GLU A 43 3.908 -9.198 3.004 1.00 0.00 N ATOM 471 CA GLU A 43 3.644 -10.546 2.498 1.00 0.00 C ATOM 472 C GLU A 43 2.809 -10.439 1.215 1.00 0.00 C ATOM 473 O GLU A 43 3.218 -10.924 0.162 1.00 0.00 O ATOM 474 CB GLU A 43 2.924 -11.343 3.606 1.00 0.00 C ATOM 475 CG GLU A 43 2.630 -12.823 3.287 1.00 0.00 C ATOM 476 CD GLU A 43 3.685 -13.847 3.749 1.00 0.00 C ATOM 477 OE1 GLU A 43 4.579 -13.535 4.570 1.00 0.00 O ATOM 478 OE2 GLU A 43 3.618 -15.017 3.293 1.00 0.00 O ATOM 0 H GLU A 43 3.532 -9.039 3.939 1.00 0.00 H new ATOM 0 HA GLU A 43 4.565 -11.072 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.530 -11.300 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.981 -10.845 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.675 -13.087 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.507 -12.922 2.208 1.00 0.00 H new ATOM 485 N PHE A 44 1.653 -9.770 1.276 1.00 0.00 N ATOM 486 CA PHE A 44 0.753 -9.661 0.138 1.00 0.00 C ATOM 487 C PHE A 44 1.452 -9.035 -1.077 1.00 0.00 C ATOM 488 O PHE A 44 1.466 -9.619 -2.157 1.00 0.00 O ATOM 489 CB PHE A 44 -0.518 -8.897 0.531 1.00 0.00 C ATOM 490 CG PHE A 44 -1.489 -8.820 -0.621 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.259 -7.901 -1.656 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.564 -9.721 -0.720 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.052 -7.927 -2.805 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.410 -9.681 -1.842 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.163 -8.765 -2.877 1.00 0.00 C ATOM 0 H PHE A 44 1.322 -9.293 2.115 1.00 0.00 H new ATOM 0 HA PHE A 44 0.456 -10.666 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.994 -9.390 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.254 -7.890 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.467 -7.172 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.739 -10.442 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.803 -7.293 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.251 -10.356 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.830 -8.710 -3.724 1.00 0.00 H new ATOM 505 N ILE A 45 2.032 -7.842 -0.944 1.00 0.00 N ATOM 506 CA ILE A 45 2.643 -7.160 -2.088 1.00 0.00 C ATOM 507 C ILE A 45 3.804 -7.950 -2.707 1.00 0.00 C ATOM 508 O ILE A 45 4.059 -7.783 -3.900 1.00 0.00 O ATOM 509 CB ILE A 45 3.052 -5.723 -1.718 1.00 0.00 C ATOM 510 CG1 ILE A 45 3.964 -5.618 -0.475 1.00 0.00 C ATOM 511 CG2 ILE A 45 1.782 -4.907 -1.465 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.327 -4.999 -0.740 1.00 0.00 C ATOM 0 H ILE A 45 2.092 -7.330 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 45 1.881 -7.101 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 45 3.633 -5.340 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.453 -5.027 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.107 -6.616 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.053 -3.885 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.169 -4.899 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.218 -5.356 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.898 -4.966 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.863 -5.600 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.199 -3.987 -1.123 1.00 0.00 H new ATOM 524 N PHE A 46 4.468 -8.819 -1.938 1.00 0.00 N ATOM 525 CA PHE A 46 5.464 -9.760 -2.439 1.00 0.00 C ATOM 526 C PHE A 46 4.793 -10.907 -3.211 1.00 0.00 C ATOM 527 O PHE A 46 5.294 -11.343 -4.250 1.00 0.00 O ATOM 528 CB PHE A 46 6.289 -10.304 -1.257 1.00 0.00 C ATOM 529 CG PHE A 46 7.550 -9.499 -0.975 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.465 -8.119 -0.716 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.818 -10.108 -1.001 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.623 -7.360 -0.471 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.981 -9.345 -0.791 1.00 0.00 C ATOM 534 CZ PHE A 46 9.886 -7.970 -0.520 1.00 0.00 C ATOM 0 H PHE A 46 4.322 -8.886 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 46 6.128 -9.243 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.666 -10.313 -0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.566 -11.338 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.499 -7.637 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.899 -11.169 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.540 -6.307 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.951 -9.818 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.779 -7.386 -0.351 1.00 0.00 H new ATOM 544 N LYS A 47 3.673 -11.423 -2.699 1.00 0.00 N ATOM 545 CA LYS A 47 2.926 -12.534 -3.283 1.00 0.00 C ATOM 546 C LYS A 47 2.223 -12.166 -4.587 1.00 0.00 C ATOM 547 O LYS A 47 1.996 -13.068 -5.400 1.00 0.00 O ATOM 548 CB LYS A 47 1.846 -12.986 -2.295 1.00 0.00 C ATOM 549 CG LYS A 47 2.309 -13.983 -1.233 1.00 0.00 C ATOM 550 CD LYS A 47 1.089 -14.586 -0.519 1.00 0.00 C ATOM 551 CE LYS A 47 0.434 -15.680 -1.383 1.00 0.00 C ATOM 552 NZ LYS A 47 1.192 -16.947 -1.361 1.00 0.00 N ATOM 0 H LYS A 47 3.250 -11.067 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 47 3.652 -13.319 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.445 -12.106 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.027 -13.434 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.899 -14.774 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.955 -13.485 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.394 -15.007 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.363 -13.802 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.580 -15.861 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.353 -15.327 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.676 -17.670 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.129 -16.799 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.306 -17.266 -0.378 1.00 0.00 H new ATOM 566 N TYR A 48 1.808 -10.910 -4.762 1.00 0.00 N ATOM 567 CA TYR A 48 0.994 -10.512 -5.901 1.00 0.00 C ATOM 568 C TYR A 48 1.589 -9.232 -6.479 1.00 0.00 C ATOM 569 O TYR A 48 2.516 -9.322 -7.292 1.00 0.00 O ATOM 570 CB TYR A 48 -0.482 -10.389 -5.460 1.00 0.00 C ATOM 571 CG TYR A 48 -1.014 -11.578 -4.681 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.508 -12.717 -5.338 1.00 0.00 C ATOM 573 CD2 TYR A 48 -0.982 -11.548 -3.278 1.00 0.00 C ATOM 574 CE1 TYR A 48 -1.975 -13.814 -4.591 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.430 -12.638 -2.520 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.955 -13.769 -3.177 1.00 0.00 C ATOM 577 OH TYR A 48 -2.434 -14.809 -2.441 1.00 0.00 O ATOM 0 H TYR A 48 2.027 -10.148 -4.120 1.00 0.00 H new ATOM 0 HA TYR A 48 1.001 -11.257 -6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.590 -9.494 -4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.101 -10.247 -6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.529 -12.751 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.606 -10.670 -2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.349 -14.691 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.374 -12.612 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.340 -14.606 -1.487 1.00 0.00 H new ATOM 587 N SER A 49 1.194 -8.065 -5.962 1.00 0.00 N ATOM 588 CA SER A 49 1.692 -6.755 -6.337 1.00 0.00 C ATOM 589 C SER A 49 0.964 -5.697 -5.502 1.00 0.00 C ATOM 590 O SER A 49 0.072 -6.001 -4.701 1.00 0.00 O ATOM 591 CB SER A 49 1.484 -6.491 -7.842 1.00 0.00 C ATOM 592 OG SER A 49 2.530 -5.669 -8.315 1.00 0.00 O ATOM 0 H SER A 49 0.481 -8.015 -5.234 1.00 0.00 H new ATOM 0 HA SER A 49 2.764 -6.709 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.468 -7.433 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.521 -6.008 -8.010 1.00 0.00 H new ATOM 0 HG SER A 49 2.405 -5.499 -9.272 1.00 0.00 H new ATOM 598 N VAL A 50 1.349 -4.439 -5.686 1.00 0.00 N ATOM 599 CA VAL A 50 0.783 -3.292 -4.989 1.00 0.00 C ATOM 600 C VAL A 50 -0.614 -2.952 -5.505 1.00 0.00 C ATOM 601 O VAL A 50 -1.512 -2.711 -4.691 1.00 0.00 O ATOM 602 CB VAL A 50 1.774 -2.118 -5.110 1.00 0.00 C ATOM 603 CG1 VAL A 50 1.179 -0.829 -4.561 1.00 0.00 C ATOM 604 CG2 VAL A 50 3.062 -2.425 -4.328 1.00 0.00 C ATOM 0 H VAL A 50 2.085 -4.183 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 50 0.645 -3.524 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 50 1.994 -1.990 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.904 -0.022 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.277 -0.578 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.929 -0.963 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.753 -1.587 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.821 -2.580 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.526 -3.325 -4.731 1.00 0.00 H new ATOM 614 N GLN A 51 -0.818 -2.940 -6.822 1.00 0.00 N ATOM 615 CA GLN A 51 -2.103 -2.586 -7.409 1.00 0.00 C ATOM 616 C GLN A 51 -3.212 -3.484 -6.851 1.00 0.00 C ATOM 617 O GLN A 51 -4.251 -2.968 -6.436 1.00 0.00 O ATOM 618 CB GLN A 51 -2.004 -2.706 -8.933 1.00 0.00 C ATOM 619 CG GLN A 51 -3.264 -2.228 -9.681 1.00 0.00 C ATOM 620 CD GLN A 51 -3.122 -0.783 -10.173 1.00 0.00 C ATOM 621 OE1 GLN A 51 -2.258 -0.443 -10.977 1.00 0.00 O ATOM 622 NE2 GLN A 51 -3.948 0.117 -9.683 1.00 0.00 N ATOM 0 H GLN A 51 -0.099 -3.175 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.356 -1.558 -7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.147 -2.127 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.812 -3.747 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.453 -2.884 -10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.129 -2.304 -9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.667 -0.161 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.869 1.092 -9.971 1.00 0.00 H new ATOM 631 N ASP A 52 -3.002 -4.804 -6.833 1.00 0.00 N ATOM 632 CA ASP A 52 -4.038 -5.752 -6.413 1.00 0.00 C ATOM 633 C ASP A 52 -4.391 -5.552 -4.951 1.00 0.00 C ATOM 634 O ASP A 52 -5.565 -5.526 -4.612 1.00 0.00 O ATOM 635 CB ASP A 52 -3.616 -7.200 -6.670 1.00 0.00 C ATOM 636 CG ASP A 52 -4.749 -8.194 -6.403 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.905 -7.857 -6.732 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.459 -9.300 -5.899 1.00 0.00 O ATOM 0 H ASP A 52 -2.121 -5.241 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.925 -5.554 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.284 -7.301 -7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.764 -7.445 -6.036 1.00 0.00 H new ATOM 643 N LEU A 53 -3.403 -5.304 -4.085 1.00 0.00 N ATOM 644 CA LEU A 53 -3.622 -5.130 -2.653 1.00 0.00 C ATOM 645 C LEU A 53 -4.733 -4.117 -2.389 1.00 0.00 C ATOM 646 O LEU A 53 -5.677 -4.403 -1.657 1.00 0.00 O ATOM 647 CB LEU A 53 -2.283 -4.728 -2.021 1.00 0.00 C ATOM 648 CG LEU A 53 -2.284 -4.491 -0.495 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.423 -3.005 -0.256 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.198 -5.429 0.299 1.00 0.00 C ATOM 0 H LEU A 53 -2.425 -5.219 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.962 -6.059 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.553 -5.506 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.936 -3.816 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.330 -4.792 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.427 -2.808 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.586 -2.482 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.357 -2.652 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.133 -5.188 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.227 -5.306 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.885 -6.461 0.142 1.00 0.00 H new ATOM 662 N LEU A 54 -4.657 -2.958 -3.037 1.00 0.00 N ATOM 663 CA LEU A 54 -5.656 -1.906 -2.904 1.00 0.00 C ATOM 664 C LEU A 54 -7.043 -2.427 -3.274 1.00 0.00 C ATOM 665 O LEU A 54 -7.987 -2.206 -2.524 1.00 0.00 O ATOM 666 CB LEU A 54 -5.275 -0.733 -3.822 1.00 0.00 C ATOM 667 CG LEU A 54 -3.952 -0.054 -3.450 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.541 0.922 -4.553 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.029 0.664 -2.096 1.00 0.00 C ATOM 0 H LEU A 54 -3.895 -2.722 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.684 -1.571 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.210 -1.095 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.073 0.009 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.195 -0.833 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.600 1.401 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.416 0.380 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.314 1.681 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.068 1.130 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.803 1.430 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.270 -0.057 -1.315 1.00 0.00 H new ATOM 681 N VAL A 55 -7.163 -3.134 -4.401 1.00 0.00 N ATOM 682 CA VAL A 55 -8.410 -3.741 -4.853 1.00 0.00 C ATOM 683 C VAL A 55 -8.919 -4.729 -3.785 1.00 0.00 C ATOM 684 O VAL A 55 -10.063 -4.622 -3.343 1.00 0.00 O ATOM 685 CB VAL A 55 -8.208 -4.409 -6.239 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.535 -5.016 -6.711 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.667 -3.439 -7.318 1.00 0.00 C ATOM 0 H VAL A 55 -6.380 -3.301 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.175 -2.975 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.452 -5.183 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.394 -5.486 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.869 -5.764 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.286 -4.230 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.550 -3.973 -8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.369 -2.616 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.701 -3.045 -7.002 1.00 0.00 H new ATOM 697 N ARG A 56 -8.075 -5.666 -3.330 1.00 0.00 N ATOM 698 CA ARG A 56 -8.449 -6.710 -2.366 1.00 0.00 C ATOM 699 C ARG A 56 -8.994 -6.141 -1.065 1.00 0.00 C ATOM 700 O ARG A 56 -9.806 -6.791 -0.396 1.00 0.00 O ATOM 701 CB ARG A 56 -7.245 -7.618 -2.052 1.00 0.00 C ATOM 702 CG ARG A 56 -6.633 -8.379 -3.240 1.00 0.00 C ATOM 703 CD ARG A 56 -7.668 -8.981 -4.183 1.00 0.00 C ATOM 704 NE ARG A 56 -8.526 -9.948 -3.480 1.00 0.00 N ATOM 705 CZ ARG A 56 -9.500 -10.685 -4.021 1.00 0.00 C ATOM 706 NH1 ARG A 56 -9.654 -10.774 -5.340 1.00 0.00 N ATOM 707 NH2 ARG A 56 -10.323 -11.335 -3.202 1.00 0.00 N ATOM 0 H ARG A 56 -7.100 -5.720 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.242 -7.290 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.464 -7.006 -1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.553 -8.347 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.993 -7.700 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.995 -9.176 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.282 -8.187 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.164 -9.474 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.361 -10.067 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.020 -10.273 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.406 -11.344 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.200 -11.262 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.077 -11.906 -3.584 1.00 0.00 H new ATOM 721 N VAL A 57 -8.498 -4.973 -0.673 1.00 0.00 N ATOM 722 CA VAL A 57 -8.966 -4.252 0.500 1.00 0.00 C ATOM 723 C VAL A 57 -10.269 -3.521 0.180 1.00 0.00 C ATOM 724 O VAL A 57 -11.253 -3.723 0.889 1.00 0.00 O ATOM 725 CB VAL A 57 -7.880 -3.271 0.980 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.320 -2.594 2.275 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.492 -3.899 1.220 1.00 0.00 C ATOM 0 H VAL A 57 -7.747 -4.495 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.165 -4.960 1.305 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.769 -2.561 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.545 -1.903 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.246 -2.046 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.484 -3.350 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.797 -3.129 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.570 -4.674 1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.126 -4.339 0.292 1.00 0.00 H new ATOM 737 N ALA A 58 -10.279 -2.677 -0.859 1.00 0.00 N ATOM 738 CA ALA A 58 -11.408 -1.861 -1.285 1.00 0.00 C ATOM 739 C ALA A 58 -12.683 -2.674 -1.352 1.00 0.00 C ATOM 740 O ALA A 58 -13.729 -2.220 -0.907 1.00 0.00 O ATOM 741 CB ALA A 58 -11.113 -1.300 -2.680 1.00 0.00 C ATOM 0 H ALA A 58 -9.458 -2.543 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.545 -1.060 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.951 -0.687 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.210 -0.691 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.967 -2.123 -3.380 1.00 0.00 H new ATOM 747 N GLU A 59 -12.588 -3.874 -1.901 1.00 0.00 N ATOM 748 CA GLU A 59 -13.723 -4.720 -2.165 1.00 0.00 C ATOM 749 C GLU A 59 -14.301 -5.322 -0.876 1.00 0.00 C ATOM 750 O GLU A 59 -15.502 -5.585 -0.802 1.00 0.00 O ATOM 751 CB GLU A 59 -13.207 -5.788 -3.115 1.00 0.00 C ATOM 752 CG GLU A 59 -14.293 -6.595 -3.800 1.00 0.00 C ATOM 753 CD GLU A 59 -14.974 -5.838 -4.945 1.00 0.00 C ATOM 754 OE1 GLU A 59 -15.640 -4.801 -4.709 1.00 0.00 O ATOM 755 OE2 GLU A 59 -14.776 -6.303 -6.095 1.00 0.00 O ATOM 0 H GLU A 59 -11.698 -4.289 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.550 -4.161 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.590 -5.312 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.561 -6.468 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.861 -7.517 -4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.044 -6.880 -3.064 1.00 0.00 H new ATOM 762 N ASP A 60 -13.475 -5.529 0.154 1.00 0.00 N ATOM 763 CA ASP A 60 -13.925 -5.884 1.503 1.00 0.00 C ATOM 764 C ASP A 60 -14.595 -4.661 2.129 1.00 0.00 C ATOM 765 O ASP A 60 -15.745 -4.715 2.568 1.00 0.00 O ATOM 766 CB ASP A 60 -12.749 -6.354 2.385 1.00 0.00 C ATOM 767 CG ASP A 60 -13.213 -7.196 3.588 1.00 0.00 C ATOM 768 OD1 ASP A 60 -14.295 -6.936 4.177 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.505 -8.165 3.948 1.00 0.00 O ATOM 0 H ASP A 60 -12.461 -5.454 0.073 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.632 -6.711 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.058 -6.941 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.199 -5.484 2.745 1.00 0.00 H new ATOM 774 N ARG A 61 -13.850 -3.550 2.145 1.00 0.00 N ATOM 775 CA ARG A 61 -14.143 -2.305 2.844 1.00 0.00 C ATOM 776 C ARG A 61 -15.135 -1.399 2.119 1.00 0.00 C ATOM 777 O ARG A 61 -15.464 -0.346 2.660 1.00 0.00 O ATOM 778 CB ARG A 61 -12.819 -1.578 3.129 1.00 0.00 C ATOM 779 CG ARG A 61 -12.160 -2.073 4.426 1.00 0.00 C ATOM 780 CD ARG A 61 -12.611 -1.228 5.634 1.00 0.00 C ATOM 781 NE ARG A 61 -13.034 -2.014 6.803 1.00 0.00 N ATOM 782 CZ ARG A 61 -12.298 -2.798 7.598 1.00 0.00 C ATOM 783 NH1 ARG A 61 -11.054 -3.140 7.275 1.00 0.00 N ATOM 784 NH2 ARG A 61 -12.810 -3.247 8.738 1.00 0.00 N ATOM 0 H ARG A 61 -12.969 -3.499 1.634 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.644 -2.563 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.135 -1.729 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.002 -0.506 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.418 -3.119 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.075 -2.024 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.792 -0.573 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.436 -0.587 5.325 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.024 -1.953 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.642 -2.803 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.512 -3.739 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.761 -2.994 9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.252 -3.845 9.347 1.00 0.00 H new ATOM 798 N ASN A 62 -15.654 -1.810 0.962 1.00 0.00 N ATOM 799 CA ASN A 62 -16.607 -1.097 0.115 1.00 0.00 C ATOM 800 C ASN A 62 -16.193 0.281 -0.371 1.00 0.00 C ATOM 801 O ASN A 62 -16.842 1.282 -0.068 1.00 0.00 O ATOM 802 CB ASN A 62 -18.053 -1.207 0.538 1.00 0.00 C ATOM 803 CG ASN A 62 -18.382 -0.729 1.928 1.00 0.00 C ATOM 804 OD1 ASN A 62 -18.048 -1.534 2.921 1.00 0.00 O flip ATOM 805 ND2 ASN A 62 -19.041 0.280 2.125 1.00 0.00 N flip ATOM 0 H ASN A 62 -15.401 -2.715 0.565 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.552 -1.685 -0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.660 -0.643 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.355 -2.251 0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.288 0.888 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.344 0.515 3.070 1.00 0.00 H new ATOM 812 N LEU A 63 -15.055 0.330 -1.055 1.00 0.00 N ATOM 813 CA LEU A 63 -14.355 1.541 -1.450 1.00 0.00 C ATOM 814 C LEU A 63 -14.035 1.507 -2.950 1.00 0.00 C ATOM 815 O LEU A 63 -14.355 0.519 -3.610 1.00 0.00 O ATOM 816 CB LEU A 63 -13.123 1.725 -0.559 1.00 0.00 C ATOM 817 CG LEU A 63 -13.379 1.511 0.946 1.00 0.00 C ATOM 818 CD1 LEU A 63 -12.045 1.523 1.719 1.00 0.00 C ATOM 819 CD2 LEU A 63 -14.260 2.599 1.550 1.00 0.00 C ATOM 0 H LEU A 63 -14.575 -0.516 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.988 2.416 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.349 1.030 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.731 2.731 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.886 0.550 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.238 1.371 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.403 0.724 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.549 2.483 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.408 2.400 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.777 3.568 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.225 2.608 1.044 1.00 0.00 H new ATOM 831 N ASP A 64 -13.406 2.555 -3.502 1.00 0.00 N ATOM 832 CA ASP A 64 -13.253 2.706 -4.956 1.00 0.00 C ATOM 833 C ASP A 64 -11.785 2.941 -5.240 1.00 0.00 C ATOM 834 O ASP A 64 -11.162 3.849 -4.679 1.00 0.00 O ATOM 835 CB ASP A 64 -14.058 3.852 -5.589 1.00 0.00 C ATOM 836 CG ASP A 64 -15.483 4.027 -5.064 1.00 0.00 C ATOM 837 OD1 ASP A 64 -15.640 4.454 -3.896 1.00 0.00 O ATOM 838 OD2 ASP A 64 -16.437 3.801 -5.842 1.00 0.00 O ATOM 0 H ASP A 64 -12.993 3.314 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.645 1.792 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.515 4.784 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.104 3.688 -6.666 1.00 0.00 H new ATOM 843 N VAL A 65 -11.195 2.062 -6.036 1.00 0.00 N ATOM 844 CA VAL A 65 -9.750 1.976 -6.211 1.00 0.00 C ATOM 845 C VAL A 65 -9.146 3.256 -6.822 1.00 0.00 C ATOM 846 O VAL A 65 -8.004 3.629 -6.537 1.00 0.00 O ATOM 847 CB VAL A 65 -9.485 0.706 -7.024 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.978 0.867 -8.464 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.006 0.347 -6.997 1.00 0.00 C ATOM 0 H VAL A 65 -11.713 1.378 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.242 1.905 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.042 -0.111 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.778 -0.048 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.050 1.064 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.457 1.700 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.841 -0.558 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.425 1.165 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.692 0.177 -5.967 1.00 0.00 H new ATOM 859 N GLU A 66 -9.926 3.960 -7.633 1.00 0.00 N ATOM 860 CA GLU A 66 -9.614 5.259 -8.215 1.00 0.00 C ATOM 861 C GLU A 66 -9.246 6.309 -7.155 1.00 0.00 C ATOM 862 O GLU A 66 -8.378 7.164 -7.382 1.00 0.00 O ATOM 863 CB GLU A 66 -10.771 5.707 -9.116 1.00 0.00 C ATOM 864 CG GLU A 66 -12.131 5.729 -8.408 1.00 0.00 C ATOM 865 CD GLU A 66 -13.274 5.815 -9.421 1.00 0.00 C ATOM 866 OE1 GLU A 66 -13.394 6.861 -10.098 1.00 0.00 O ATOM 867 OE2 GLU A 66 -13.967 4.806 -9.672 1.00 0.00 O ATOM 0 H GLU A 66 -10.845 3.620 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.720 5.156 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.555 6.704 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.830 5.040 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.244 4.830 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.178 6.580 -7.728 1.00 0.00 H new ATOM 874 N VAL A 67 -9.870 6.222 -5.979 1.00 0.00 N ATOM 875 CA VAL A 67 -9.611 7.120 -4.864 1.00 0.00 C ATOM 876 C VAL A 67 -8.334 6.683 -4.138 1.00 0.00 C ATOM 877 O VAL A 67 -7.524 7.523 -3.748 1.00 0.00 O ATOM 878 CB VAL A 67 -10.815 7.208 -3.904 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.666 8.427 -2.980 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.140 7.335 -4.668 1.00 0.00 C ATOM 0 H VAL A 67 -10.577 5.515 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.462 8.126 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.831 6.287 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.521 8.480 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.750 8.332 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.621 9.335 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.965 7.394 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.122 8.237 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.275 6.464 -5.309 1.00 0.00 H new ATOM 890 N LEU A 68 -8.107 5.372 -3.982 1.00 0.00 N ATOM 891 CA LEU A 68 -6.898 4.854 -3.331 1.00 0.00 C ATOM 892 C LEU A 68 -5.640 5.298 -4.052 1.00 0.00 C ATOM 893 O LEU A 68 -4.648 5.614 -3.403 1.00 0.00 O ATOM 894 CB LEU A 68 -6.879 3.319 -3.279 1.00 0.00 C ATOM 895 CG LEU A 68 -7.822 2.759 -2.215 1.00 0.00 C ATOM 896 CD1 LEU A 68 -7.955 1.239 -2.311 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.364 3.098 -0.798 1.00 0.00 C ATOM 0 H LEU A 68 -8.750 4.647 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.919 5.258 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.160 2.922 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.864 2.978 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.785 3.230 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.634 0.884 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.349 0.969 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.976 0.779 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.067 2.678 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.373 2.678 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.325 4.181 -0.678 1.00 0.00 H new ATOM 909 N ASN A 69 -5.678 5.315 -5.385 1.00 0.00 N ATOM 910 CA ASN A 69 -4.542 5.728 -6.204 1.00 0.00 C ATOM 911 C ASN A 69 -4.116 7.154 -5.850 1.00 0.00 C ATOM 912 O ASN A 69 -2.924 7.445 -5.792 1.00 0.00 O ATOM 913 CB ASN A 69 -4.877 5.605 -7.699 1.00 0.00 C ATOM 914 CG ASN A 69 -4.647 4.190 -8.210 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.611 3.884 -8.798 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.566 3.274 -7.969 1.00 0.00 N ATOM 0 H ASN A 69 -6.499 5.042 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.704 5.063 -5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.917 5.888 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.263 6.303 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.418 2.311 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.425 3.529 -7.481 1.00 0.00 H new ATOM 923 N GLN A 70 -5.080 8.028 -5.557 1.00 0.00 N ATOM 924 CA GLN A 70 -4.821 9.408 -5.184 1.00 0.00 C ATOM 925 C GLN A 70 -4.188 9.486 -3.798 1.00 0.00 C ATOM 926 O GLN A 70 -3.201 10.207 -3.647 1.00 0.00 O ATOM 927 CB GLN A 70 -6.120 10.223 -5.261 1.00 0.00 C ATOM 928 CG GLN A 70 -6.343 10.977 -6.571 1.00 0.00 C ATOM 929 CD GLN A 70 -5.780 10.313 -7.820 1.00 0.00 C ATOM 930 OE1 GLN A 70 -4.901 10.884 -8.459 1.00 0.00 O ATOM 931 NE2 GLN A 70 -6.251 9.137 -8.211 1.00 0.00 N ATOM 0 H GLN A 70 -6.071 7.789 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.108 9.838 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.962 9.549 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.127 10.942 -4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.415 11.119 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.900 11.968 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.981 8.675 -7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.883 8.695 -9.053 1.00 0.00 H new ATOM 940 N VAL A 71 -4.693 8.775 -2.783 1.00 0.00 N ATOM 941 CA VAL A 71 -4.043 8.793 -1.474 1.00 0.00 C ATOM 942 C VAL A 71 -2.618 8.248 -1.607 1.00 0.00 C ATOM 943 O VAL A 71 -1.665 8.836 -1.103 1.00 0.00 O ATOM 944 CB VAL A 71 -4.881 8.065 -0.415 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.119 8.029 0.906 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.190 8.823 -0.175 1.00 0.00 C ATOM 0 H VAL A 71 -5.529 8.194 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.969 9.821 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.085 7.055 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.716 7.511 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.175 7.502 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.921 9.048 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.780 8.301 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.968 9.832 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.755 8.877 -1.106 1.00 0.00 H new ATOM 956 N ARG A 72 -2.447 7.180 -2.380 1.00 0.00 N ATOM 957 CA ARG A 72 -1.149 6.592 -2.650 1.00 0.00 C ATOM 958 C ARG A 72 -0.175 7.567 -3.326 1.00 0.00 C ATOM 959 O ARG A 72 1.040 7.401 -3.174 1.00 0.00 O ATOM 960 CB ARG A 72 -1.425 5.304 -3.438 1.00 0.00 C ATOM 961 CG ARG A 72 -0.171 4.602 -3.944 1.00 0.00 C ATOM 962 CD ARG A 72 -0.425 3.100 -4.104 1.00 0.00 C ATOM 963 NE ARG A 72 0.377 2.481 -5.167 1.00 0.00 N ATOM 964 CZ ARG A 72 1.684 2.587 -5.400 1.00 0.00 C ATOM 965 NH1 ARG A 72 2.493 3.307 -4.630 1.00 0.00 N ATOM 966 NH2 ARG A 72 2.170 1.944 -6.452 1.00 0.00 N ATOM 0 H ARG A 72 -3.218 6.696 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.620 6.350 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.983 4.615 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.064 5.541 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.132 5.030 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.651 4.766 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.210 2.600 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.482 2.939 -4.316 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.138 1.888 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.118 3.806 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.489 3.360 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.549 1.395 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.166 1.998 -6.667 1.00 0.00 H new ATOM 980 N ALA A 73 -0.673 8.579 -4.043 1.00 0.00 N ATOM 981 CA ALA A 73 0.141 9.632 -4.632 1.00 0.00 C ATOM 982 C ALA A 73 0.585 10.645 -3.568 1.00 0.00 C ATOM 983 O ALA A 73 1.709 11.154 -3.617 1.00 0.00 O ATOM 984 CB ALA A 73 -0.657 10.345 -5.734 1.00 0.00 C ATOM 0 H ALA A 73 -1.670 8.686 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 73 1.034 9.179 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.046 11.133 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.933 9.627 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.559 10.782 -5.305 1.00 0.00 H new ATOM 990 N GLN A 74 -0.287 11.008 -2.624 1.00 0.00 N ATOM 991 CA GLN A 74 0.000 11.995 -1.598 1.00 0.00 C ATOM 992 C GLN A 74 0.605 11.273 -0.389 1.00 0.00 C ATOM 993 O GLN A 74 -0.055 10.984 0.604 1.00 0.00 O ATOM 994 CB GLN A 74 -1.244 12.866 -1.341 1.00 0.00 C ATOM 995 CG GLN A 74 -2.455 12.161 -0.728 1.00 0.00 C ATOM 996 CD GLN A 74 -3.788 12.777 -1.140 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.389 13.572 -0.421 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.287 12.411 -2.311 1.00 0.00 N ATOM 0 H GLN A 74 -1.225 10.614 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 74 0.755 12.718 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.957 13.686 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.551 13.311 -2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.442 11.111 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.371 12.189 0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.778 11.750 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.180 12.790 -2.626 1.00 0.00 H new ATOM 1007 N SER A 75 1.877 10.896 -0.511 1.00 0.00 N ATOM 1008 CA SER A 75 2.648 10.274 0.537 1.00 0.00 C ATOM 1009 C SER A 75 4.102 10.661 0.349 1.00 0.00 C ATOM 1010 O SER A 75 4.813 10.050 -0.448 1.00 0.00 O ATOM 1011 CB SER A 75 2.461 8.760 0.428 1.00 0.00 C ATOM 1012 OG SER A 75 1.139 8.357 0.726 1.00 0.00 O ATOM 0 H SER A 75 2.406 11.024 -1.374 1.00 0.00 H new ATOM 0 HA SER A 75 2.324 10.599 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.718 8.437 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.152 8.261 1.108 1.00 0.00 H new ATOM 0 HG SER A 75 0.582 9.149 0.876 1.00 0.00 H new ATOM 1018 N LEU A 76 4.538 11.705 1.053 1.00 0.00 N ATOM 1019 CA LEU A 76 5.886 12.243 0.931 1.00 0.00 C ATOM 1020 C LEU A 76 6.961 11.212 1.222 1.00 0.00 C ATOM 1021 O LEU A 76 8.022 11.280 0.606 1.00 0.00 O ATOM 1022 CB LEU A 76 6.055 13.473 1.836 1.00 0.00 C ATOM 1023 CG LEU A 76 5.684 14.743 1.062 1.00 0.00 C ATOM 1024 CD1 LEU A 76 5.448 15.935 1.989 1.00 0.00 C ATOM 1025 CD2 LEU A 76 6.793 15.114 0.067 1.00 0.00 C ATOM 0 H LEU A 76 3.958 12.203 1.729 1.00 0.00 H new ATOM 0 HA LEU A 76 6.015 12.542 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.422 13.376 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.085 13.538 2.188 1.00 0.00 H new ATOM 0 HG LEU A 76 4.758 14.522 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.188 16.812 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.633 15.706 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.355 16.138 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.510 16.018 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.723 15.290 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.934 14.298 -0.642 1.00 0.00 H new ATOM 1037 N ALA A 77 6.695 10.232 2.084 1.00 0.00 N ATOM 1038 CA ALA A 77 7.666 9.199 2.392 1.00 0.00 C ATOM 1039 C ALA A 77 8.135 8.456 1.134 1.00 0.00 C ATOM 1040 O ALA A 77 9.334 8.223 1.000 1.00 0.00 O ATOM 1041 CB ALA A 77 7.078 8.233 3.409 1.00 0.00 C ATOM 0 H ALA A 77 5.809 10.137 2.580 1.00 0.00 H new ATOM 0 HA ALA A 77 8.547 9.678 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.809 7.458 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.824 8.774 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.179 7.774 2.997 1.00 0.00 H new ATOM 1047 N GLU A 78 7.236 8.141 0.189 1.00 0.00 N ATOM 1048 CA GLU A 78 7.596 7.426 -1.046 1.00 0.00 C ATOM 1049 C GLU A 78 8.380 8.313 -2.028 1.00 0.00 C ATOM 1050 O GLU A 78 8.901 7.831 -3.033 1.00 0.00 O ATOM 1051 CB GLU A 78 6.352 6.780 -1.692 1.00 0.00 C ATOM 1052 CG GLU A 78 5.553 7.679 -2.665 1.00 0.00 C ATOM 1053 CD GLU A 78 5.822 7.445 -4.174 1.00 0.00 C ATOM 1054 OE1 GLU A 78 6.196 6.323 -4.585 1.00 0.00 O ATOM 1055 OE2 GLU A 78 5.540 8.348 -5.001 1.00 0.00 O ATOM 0 H GLU A 78 6.245 8.373 0.258 1.00 0.00 H new ATOM 0 HA GLU A 78 8.275 6.618 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.668 5.886 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.682 6.453 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.490 7.530 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.775 8.721 -2.433 1.00 0.00 H new ATOM 1062 N LYS A 79 8.478 9.618 -1.752 1.00 0.00 N ATOM 1063 CA LYS A 79 9.306 10.537 -2.530 1.00 0.00 C ATOM 1064 C LYS A 79 10.583 10.915 -1.798 1.00 0.00 C ATOM 1065 O LYS A 79 11.548 11.296 -2.466 1.00 0.00 O ATOM 1066 CB LYS A 79 8.490 11.776 -2.918 1.00 0.00 C ATOM 1067 CG LYS A 79 7.438 11.391 -3.968 1.00 0.00 C ATOM 1068 CD LYS A 79 5.984 11.447 -3.494 1.00 0.00 C ATOM 1069 CE LYS A 79 5.422 12.867 -3.568 1.00 0.00 C ATOM 1070 NZ LYS A 79 3.964 12.854 -3.796 1.00 0.00 N ATOM 0 H LYS A 79 7.983 10.065 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 79 9.615 10.025 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.003 12.194 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.149 12.548 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.548 12.053 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.650 10.380 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.375 10.782 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.921 11.083 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.643 13.397 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.913 13.414 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.512 13.573 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.767 13.064 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.584 11.916 -3.558 1.00 0.00 H new ATOM 1084 N ASN A 80 10.616 10.785 -0.471 1.00 0.00 N ATOM 1085 CA ASN A 80 11.784 11.015 0.360 1.00 0.00 C ATOM 1086 C ASN A 80 12.644 9.745 0.473 1.00 0.00 C ATOM 1087 O ASN A 80 13.724 9.795 1.062 1.00 0.00 O ATOM 1088 CB ASN A 80 11.347 11.529 1.737 1.00 0.00 C ATOM 1089 CG ASN A 80 10.992 13.013 1.672 1.00 0.00 C ATOM 1090 OD1 ASN A 80 11.786 13.855 1.246 1.00 0.00 O ATOM 1091 ND2 ASN A 80 9.777 13.384 2.027 1.00 0.00 N ATOM 0 H ASN A 80 9.796 10.506 0.068 1.00 0.00 H new ATOM 0 HA ASN A 80 12.407 11.777 -0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.486 10.959 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.148 11.373 2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.499 14.362 1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.115 12.693 2.380 1.00 0.00 H new ATOM 1098 N ALA A 81 12.189 8.609 -0.065 1.00 0.00 N ATOM 1099 CA ALA A 81 12.889 7.336 -0.123 1.00 0.00 C ATOM 1100 C ALA A 81 12.614 6.658 -1.457 1.00 0.00 C ATOM 1101 O ALA A 81 11.646 6.989 -2.143 1.00 0.00 O ATOM 1102 CB ALA A 81 12.436 6.429 1.023 1.00 0.00 C ATOM 0 H ALA A 81 11.266 8.558 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 81 13.959 7.518 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.968 5.479 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.653 6.911 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.364 6.249 0.943 1.00 0.00 H new ATOM 1108 N GLN A 82 13.465 5.692 -1.788 1.00 0.00 N ATOM 1109 CA GLN A 82 13.367 4.796 -2.921 1.00 0.00 C ATOM 1110 C GLN A 82 14.372 3.664 -2.688 1.00 0.00 C ATOM 1111 O GLN A 82 15.187 3.727 -1.769 1.00 0.00 O ATOM 1112 CB GLN A 82 13.673 5.551 -4.219 1.00 0.00 C ATOM 1113 CG GLN A 82 15.168 5.855 -4.313 1.00 0.00 C ATOM 1114 CD GLN A 82 15.545 6.905 -5.337 1.00 0.00 C ATOM 1115 OE1 GLN A 82 16.591 6.810 -5.968 1.00 0.00 O ATOM 1116 NE2 GLN A 82 14.802 7.985 -5.454 1.00 0.00 N ATOM 0 H GLN A 82 14.297 5.507 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 82 12.360 4.390 -3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.361 4.955 -5.077 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.103 6.479 -4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.519 6.181 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.697 4.932 -4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.931 8.064 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.097 8.743 -6.070 1.00 0.00 H new ATOM 1125 N VAL A 83 14.347 2.668 -3.566 1.00 0.00 N ATOM 1126 CA VAL A 83 15.320 1.592 -3.614 1.00 0.00 C ATOM 1127 C VAL A 83 15.369 1.058 -5.037 1.00 0.00 C ATOM 1128 O VAL A 83 14.692 0.096 -5.336 1.00 0.00 O ATOM 1129 CB VAL A 83 15.026 0.462 -2.594 1.00 0.00 C ATOM 1130 CG1 VAL A 83 16.186 -0.514 -2.513 1.00 0.00 C ATOM 1131 CG2 VAL A 83 14.650 0.871 -1.163 1.00 0.00 C ATOM 0 H VAL A 83 13.627 2.588 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 83 16.293 1.990 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 83 14.124 0.014 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.954 -1.296 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 16.353 -0.963 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 83 17.085 0.015 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.473 -0.022 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 83 15.464 1.447 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.745 1.479 -1.184 1.00 0.00 H new ATOM 1141 N VAL A 84 16.074 1.727 -5.940 1.00 0.00 N ATOM 1142 CA VAL A 84 16.152 1.459 -7.383 1.00 0.00 C ATOM 1143 C VAL A 84 17.570 1.398 -7.917 1.00 0.00 C ATOM 1144 O VAL A 84 18.396 2.240 -7.508 1.00 0.00 O ATOM 1145 CB VAL A 84 15.142 2.288 -8.191 1.00 0.00 C ATOM 1146 CG1 VAL A 84 13.789 2.248 -7.465 1.00 0.00 C ATOM 1147 CG2 VAL A 84 15.677 3.670 -8.259 1.00 0.00 C ATOM 0 H VAL A 84 16.648 2.527 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 84 15.814 0.434 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 84 14.997 1.901 -9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.058 2.832 -8.025 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.447 1.216 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.900 2.668 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.990 4.298 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.785 4.069 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.650 3.660 -8.751 1.00 0.00 H new TER 1157 VAL A 84