USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 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 18 HIS : no HD1:sc= 0.0738 X(o=0.17,f=-0.25) USER MOD Set 1.2: A 22 THR OG1 : rot 147:sc= 0.1 USER MOD Set 2.1: A 5 THR OG1 : rot -65:sc= 1.25 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.05 X(o=2.3,f=2.3) USER MOD Set 2.3: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.367 K(o=0.37,f=-0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 48:sc= 0.546 USER MOD Single : A 33 GLN : amide:sc= 0.0812 X(o=0.081,f=0) USER MOD Single : A 39 SER OG : rot -110:sc= 0.589 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= 0.706 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -9.186 -1.209 -9.355 1.00 0.00 N ATOM 51 CA LEU A 4 -8.800 -1.886 -8.091 1.00 0.00 C ATOM 52 C LEU A 4 -10.028 -2.243 -7.182 1.00 0.00 C ATOM 53 O LEU A 4 -11.027 -1.520 -7.130 1.00 0.00 O ATOM 54 CB LEU A 4 -7.852 -0.937 -7.299 1.00 0.00 C ATOM 55 CG LEU A 4 -6.465 -0.653 -7.917 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.762 0.422 -7.071 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.586 -1.903 -7.997 1.00 0.00 C ATOM 0 HA LEU A 4 -8.314 -2.825 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.363 0.016 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.700 -1.362 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.617 -0.309 -8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.780 0.634 -7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.361 1.333 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.646 0.062 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.624 -1.644 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.429 -2.302 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.078 -2.655 -8.614 1.00 0.00 H new ATOM 69 N THR A 5 -9.910 -3.330 -6.402 1.00 0.00 N ATOM 70 CA THR A 5 -10.936 -3.689 -5.376 1.00 0.00 C ATOM 71 C THR A 5 -11.008 -2.662 -4.183 1.00 0.00 C ATOM 72 O THR A 5 -10.031 -1.970 -3.884 1.00 0.00 O ATOM 73 CB THR A 5 -10.733 -5.132 -4.806 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.527 -5.252 -4.058 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.736 -6.251 -5.841 1.00 0.00 C ATOM 0 H THR A 5 -9.125 -3.979 -6.452 1.00 0.00 H new ATOM 0 HA THR A 5 -11.885 -3.652 -5.912 1.00 0.00 H new ATOM 0 HB THR A 5 -11.610 -5.259 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.759 -5.129 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.588 -7.209 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.691 -6.259 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.931 -6.087 -6.557 1.00 0.00 H new ATOM 83 N ALA A 6 -12.158 -2.585 -3.494 1.00 0.00 N ATOM 84 CA ALA A 6 -12.386 -1.591 -2.407 1.00 0.00 C ATOM 85 C ALA A 6 -11.323 -1.473 -1.261 1.00 0.00 C ATOM 86 O ALA A 6 -10.964 -0.350 -0.896 1.00 0.00 O ATOM 87 CB ALA A 6 -13.793 -1.865 -1.854 1.00 0.00 C ATOM 0 H ALA A 6 -12.955 -3.199 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.278 -0.609 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.012 -1.161 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.527 -1.746 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.840 -2.883 -1.467 1.00 0.00 H new ATOM 93 N ARG A 7 -10.805 -2.591 -0.727 1.00 0.00 N ATOM 94 CA ARG A 7 -9.636 -2.564 0.192 1.00 0.00 C ATOM 95 C ARG A 7 -8.238 -2.288 -0.481 1.00 0.00 C ATOM 96 O ARG A 7 -7.450 -1.552 0.114 1.00 0.00 O ATOM 97 CB ARG A 7 -9.577 -3.844 1.051 1.00 0.00 C ATOM 98 CG ARG A 7 -10.648 -4.014 2.148 1.00 0.00 C ATOM 99 CD ARG A 7 -10.696 -2.867 3.169 1.00 0.00 C ATOM 100 NE ARG A 7 -11.116 -3.373 4.495 1.00 0.00 N ATOM 101 CZ ARG A 7 -11.172 -2.642 5.602 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.961 -1.360 5.656 1.00 0.00 N ATOM 103 NH2 ARG A 7 -11.440 -3.246 6.708 1.00 0.00 N ATOM 0 H ARG A 7 -11.170 -3.526 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.816 -1.694 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.642 -4.702 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.598 -3.885 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.625 -4.104 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.463 -4.949 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.715 -2.399 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.390 -2.098 2.829 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.382 -4.355 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.733 -0.844 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.023 -0.870 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.601 -4.253 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.491 -2.717 7.579 1.00 0.00 H new ATOM 116 N GLN A 8 -7.936 -2.812 -1.683 1.00 0.00 N ATOM 117 CA GLN A 8 -6.733 -2.380 -2.461 1.00 0.00 C ATOM 118 C GLN A 8 -6.676 -0.836 -2.812 1.00 0.00 C ATOM 119 O GLN A 8 -5.628 -0.221 -2.622 1.00 0.00 O ATOM 120 CB GLN A 8 -6.635 -3.177 -3.788 1.00 0.00 C ATOM 121 CG GLN A 8 -6.238 -4.661 -3.660 1.00 0.00 C ATOM 122 CD GLN A 8 -6.313 -5.376 -5.007 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.386 -5.572 -5.567 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.212 -5.770 -5.585 1.00 0.00 N ATOM 0 H GLN A 8 -8.495 -3.530 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.893 -2.585 -1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.599 -3.122 -4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.909 -2.682 -4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.226 -4.735 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.897 -5.155 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.313 -5.613 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.250 -6.235 -6.492 1.00 0.00 H new ATOM 133 N GLN A 9 -7.783 -0.233 -3.274 1.00 0.00 N ATOM 134 CA GLN A 9 -7.909 1.243 -3.433 1.00 0.00 C ATOM 135 C GLN A 9 -7.768 2.085 -2.117 1.00 0.00 C ATOM 136 O GLN A 9 -7.090 3.114 -2.133 1.00 0.00 O ATOM 137 CB GLN A 9 -9.239 1.500 -4.176 1.00 0.00 C ATOM 138 CG GLN A 9 -9.458 2.937 -4.698 1.00 0.00 C ATOM 139 CD GLN A 9 -8.513 3.393 -5.799 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.460 2.829 -6.884 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.744 4.430 -5.588 1.00 0.00 N ATOM 0 H GLN A 9 -8.621 -0.745 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.056 1.600 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.298 0.815 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.061 1.249 -3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.481 3.017 -5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.367 3.626 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.774 4.913 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.114 4.756 -6.321 1.00 0.00 H new ATOM 150 N GLU A 10 -8.348 1.649 -0.989 1.00 0.00 N ATOM 151 CA GLU A 10 -8.017 2.200 0.360 1.00 0.00 C ATOM 152 C GLU A 10 -6.495 2.127 0.767 1.00 0.00 C ATOM 153 O GLU A 10 -5.942 3.144 1.190 1.00 0.00 O ATOM 154 CB GLU A 10 -8.892 1.484 1.417 1.00 0.00 C ATOM 155 CG GLU A 10 -10.373 1.909 1.425 1.00 0.00 C ATOM 156 CD GLU A 10 -11.225 1.008 2.305 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.287 1.114 3.525 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.884 0.062 1.580 1.00 0.00 O ATOM 0 H GLU A 10 -9.054 0.913 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.234 3.267 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.838 0.409 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.470 1.670 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.452 2.938 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.760 1.890 0.406 1.00 0.00 H new ATOM 166 N VAL A 11 -5.829 0.976 0.585 1.00 0.00 N ATOM 167 CA VAL A 11 -4.338 0.860 0.702 1.00 0.00 C ATOM 168 C VAL A 11 -3.546 1.791 -0.291 1.00 0.00 C ATOM 169 O VAL A 11 -2.606 2.453 0.150 1.00 0.00 O ATOM 170 CB VAL A 11 -3.919 -0.647 0.605 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.390 -0.880 0.637 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.481 -1.489 1.779 1.00 0.00 C ATOM 0 H VAL A 11 -6.290 0.096 0.354 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.053 1.234 1.685 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.330 -0.954 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.183 -1.948 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.926 -0.363 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.983 -0.493 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.164 -2.526 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.105 -1.094 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.570 -1.440 1.773 1.00 0.00 H new ATOM 182 N PHE A 12 -3.927 1.877 -1.574 1.00 0.00 N ATOM 183 CA PHE A 12 -3.339 2.855 -2.533 1.00 0.00 C ATOM 184 C PHE A 12 -3.526 4.374 -2.193 1.00 0.00 C ATOM 185 O PHE A 12 -2.576 5.147 -2.318 1.00 0.00 O ATOM 186 CB PHE A 12 -3.870 2.491 -3.941 1.00 0.00 C ATOM 187 CG PHE A 12 -3.104 3.140 -5.106 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.720 2.942 -5.274 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.784 3.939 -6.036 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.040 3.537 -6.332 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.103 4.523 -7.105 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.734 4.316 -7.252 1.00 0.00 C ATOM 0 H PHE A 12 -4.645 1.280 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.255 2.757 -2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.834 1.408 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.918 2.784 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.180 2.321 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.845 4.104 -5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.025 3.394 -6.439 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.637 5.135 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.209 4.762 -8.084 1.00 0.00 H new ATOM 202 N ASP A 13 -4.713 4.786 -1.726 1.00 0.00 N ATOM 203 CA ASP A 13 -4.908 6.129 -1.116 1.00 0.00 C ATOM 204 C ASP A 13 -4.038 6.394 0.172 1.00 0.00 C ATOM 205 O ASP A 13 -3.400 7.443 0.241 1.00 0.00 O ATOM 206 CB ASP A 13 -6.412 6.357 -0.841 1.00 0.00 C ATOM 207 CG ASP A 13 -7.234 6.686 -2.080 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.471 7.832 -2.440 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.679 5.574 -2.732 1.00 0.00 O ATOM 0 H ASP A 13 -5.558 4.216 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.548 6.858 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.823 5.462 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.519 7.170 -0.122 1.00 0.00 H new ATOM 215 N LEU A 14 -3.972 5.468 1.139 1.00 0.00 N ATOM 216 CA LEU A 14 -3.044 5.572 2.307 1.00 0.00 C ATOM 217 C LEU A 14 -1.509 5.546 1.989 1.00 0.00 C ATOM 218 O LEU A 14 -0.780 6.340 2.586 1.00 0.00 O ATOM 219 CB LEU A 14 -3.494 4.477 3.306 1.00 0.00 C ATOM 220 CG LEU A 14 -2.779 4.422 4.673 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.921 5.706 5.494 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.363 3.256 5.487 1.00 0.00 C ATOM 0 H LEU A 14 -4.549 4.627 1.147 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.130 6.571 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.561 4.607 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.369 3.508 2.822 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.717 4.290 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.393 5.593 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.495 6.542 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.976 5.899 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.867 3.205 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.431 3.414 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.205 2.321 4.949 1.00 0.00 H new ATOM 234 N ILE A 15 -1.016 4.700 1.066 1.00 0.00 N ATOM 235 CA ILE A 15 0.411 4.758 0.579 1.00 0.00 C ATOM 236 C ILE A 15 0.831 6.136 -0.055 1.00 0.00 C ATOM 237 O ILE A 15 1.857 6.701 0.327 1.00 0.00 O ATOM 238 CB ILE A 15 0.734 3.472 -0.258 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.131 2.852 0.014 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.504 3.556 -1.776 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.350 3.721 -0.260 1.00 0.00 C ATOM 0 H ILE A 15 -1.569 3.962 0.631 1.00 0.00 H new ATOM 0 HA ILE A 15 1.076 4.734 1.442 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.032 2.803 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.165 2.545 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.221 1.947 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.765 2.603 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.544 3.780 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.129 4.345 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.256 3.161 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.362 4.009 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.306 4.616 0.361 1.00 0.00 H new ATOM 253 N ARG A 16 -0.005 6.696 -0.943 1.00 0.00 N ATOM 254 CA ARG A 16 0.141 8.087 -1.455 1.00 0.00 C ATOM 255 C ARG A 16 0.007 9.223 -0.373 1.00 0.00 C ATOM 256 O ARG A 16 0.871 10.098 -0.300 1.00 0.00 O ATOM 257 CB ARG A 16 -0.908 8.293 -2.581 1.00 0.00 C ATOM 258 CG ARG A 16 -0.630 7.498 -3.873 1.00 0.00 C ATOM 259 CD ARG A 16 -1.817 7.507 -4.846 1.00 0.00 C ATOM 260 NE ARG A 16 -1.967 8.822 -5.507 1.00 0.00 N ATOM 261 CZ ARG A 16 -2.904 9.133 -6.385 1.00 0.00 C ATOM 262 NH1 ARG A 16 -3.821 8.311 -6.806 1.00 0.00 N ATOM 263 NH2 ARG A 16 -2.900 10.333 -6.853 1.00 0.00 N ATOM 0 H ARG A 16 -0.808 6.203 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 16 1.164 8.182 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.890 8.010 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.954 9.354 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.245 7.917 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.386 6.468 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.676 6.733 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.732 7.263 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.292 9.548 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.848 7.354 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.513 8.624 -7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.192 10.999 -6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.605 10.617 -7.533 1.00 0.00 H new ATOM 276 N ASP A 17 -1.050 9.187 0.458 1.00 0.00 N ATOM 277 CA ASP A 17 -1.256 10.157 1.566 1.00 0.00 C ATOM 278 C ASP A 17 -0.142 10.193 2.666 1.00 0.00 C ATOM 279 O ASP A 17 0.277 11.290 3.031 1.00 0.00 O ATOM 280 CB ASP A 17 -2.645 9.902 2.207 1.00 0.00 C ATOM 281 CG ASP A 17 -3.793 10.605 1.503 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.205 11.710 1.839 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.310 9.872 0.477 1.00 0.00 O ATOM 0 H ASP A 17 -1.789 8.488 0.386 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.199 11.143 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.839 8.829 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.618 10.226 3.247 1.00 0.00 H new ATOM 289 N HIS A 18 0.329 9.052 3.188 1.00 0.00 N ATOM 290 CA HIS A 18 1.438 9.034 4.183 1.00 0.00 C ATOM 291 C HIS A 18 2.858 9.435 3.646 1.00 0.00 C ATOM 292 O HIS A 18 3.562 10.149 4.362 1.00 0.00 O ATOM 293 CB HIS A 18 1.364 7.686 4.923 1.00 0.00 C ATOM 294 CG HIS A 18 2.299 7.566 6.139 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.254 6.572 6.212 1.00 0.00 N ATOM 296 CD2 HIS A 18 2.459 8.474 7.215 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.967 7.008 7.294 1.00 0.00 C ATOM 298 NE2 HIS A 18 3.529 8.096 7.998 1.00 0.00 N ATOM 0 H HIS A 18 -0.031 8.129 2.947 1.00 0.00 H new ATOM 0 HA HIS A 18 1.288 9.849 4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.338 7.525 5.254 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.601 6.888 4.220 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.834 9.336 7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.871 6.496 7.591 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.891 8.510 8.857 1.00 0.00 H new ATOM 306 N ILE A 19 3.250 9.086 2.407 1.00 0.00 N ATOM 307 CA ILE A 19 4.456 9.703 1.743 1.00 0.00 C ATOM 308 C ILE A 19 4.308 11.262 1.525 1.00 0.00 C ATOM 309 O ILE A 19 5.251 11.988 1.838 1.00 0.00 O ATOM 310 CB ILE A 19 4.835 8.921 0.424 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.320 7.477 0.766 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.952 9.625 -0.393 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.483 6.550 -0.438 1.00 0.00 C ATOM 0 H ILE A 19 2.769 8.391 1.836 1.00 0.00 H new ATOM 0 HA ILE A 19 5.297 9.598 2.429 1.00 0.00 H new ATOM 0 HB ILE A 19 3.929 8.894 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.276 7.544 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.610 7.026 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.170 9.042 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.618 10.622 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.852 9.706 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.823 5.571 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.526 6.445 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.217 6.972 -1.125 1.00 0.00 H new ATOM 325 N SER A 20 3.168 11.778 1.036 1.00 0.00 N ATOM 326 CA SER A 20 2.908 13.248 1.017 1.00 0.00 C ATOM 327 C SER A 20 2.791 13.999 2.402 1.00 0.00 C ATOM 328 O SER A 20 3.031 15.206 2.447 1.00 0.00 O ATOM 329 CB SER A 20 1.627 13.481 0.180 1.00 0.00 C ATOM 330 OG SER A 20 1.420 14.874 -0.068 1.00 0.00 O ATOM 0 H SER A 20 2.411 11.214 0.649 1.00 0.00 H new ATOM 0 HA SER A 20 3.806 13.691 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.706 12.948 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.765 13.070 0.706 1.00 0.00 H new ATOM 0 HG SER A 20 0.606 14.994 -0.600 1.00 0.00 H new ATOM 336 N GLN A 21 2.393 13.310 3.474 1.00 0.00 N ATOM 337 CA GLN A 21 2.314 13.869 4.852 1.00 0.00 C ATOM 338 C GLN A 21 3.657 13.790 5.657 1.00 0.00 C ATOM 339 O GLN A 21 4.087 14.801 6.213 1.00 0.00 O ATOM 340 CB GLN A 21 1.154 13.080 5.515 1.00 0.00 C ATOM 341 CG GLN A 21 0.773 13.477 6.955 1.00 0.00 C ATOM 342 CD GLN A 21 -0.189 12.469 7.575 1.00 0.00 C ATOM 343 OE1 GLN A 21 0.201 11.396 8.020 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.466 12.747 7.597 1.00 0.00 N ATOM 0 H GLN A 21 2.109 12.332 3.422 1.00 0.00 H new ATOM 0 HA GLN A 21 2.128 14.943 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.269 13.188 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.419 12.023 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.674 13.545 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.314 14.466 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.800 13.638 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.128 12.073 7.982 1.00 0.00 H new ATOM 353 N THR A 22 4.258 12.599 5.775 1.00 0.00 N ATOM 354 CA THR A 22 5.539 12.382 6.516 1.00 0.00 C ATOM 355 C THR A 22 6.807 12.234 5.601 1.00 0.00 C ATOM 356 O THR A 22 7.878 12.695 5.996 1.00 0.00 O ATOM 357 CB THR A 22 5.353 11.121 7.427 1.00 0.00 C ATOM 358 OG1 THR A 22 4.208 11.272 8.264 1.00 0.00 O ATOM 359 CG2 THR A 22 6.503 10.845 8.388 1.00 0.00 C ATOM 0 H THR A 22 3.880 11.746 5.363 1.00 0.00 H new ATOM 0 HA THR A 22 5.738 13.277 7.105 1.00 0.00 H new ATOM 0 HB THR A 22 5.274 10.302 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.791 10.397 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.281 9.953 8.974 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.421 10.688 7.821 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.631 11.696 9.057 1.00 0.00 H new ATOM 367 N GLY A 23 6.711 11.539 4.457 1.00 0.00 N ATOM 368 CA GLY A 23 7.889 11.168 3.629 1.00 0.00 C ATOM 369 C GLY A 23 8.118 9.654 3.424 1.00 0.00 C ATOM 370 O GLY A 23 8.402 9.216 2.309 1.00 0.00 O ATOM 0 H GLY A 23 5.823 11.216 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.783 11.636 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.781 11.592 4.090 1.00 0.00 H new ATOM 374 N MET A 24 8.037 8.881 4.509 1.00 0.00 N ATOM 375 CA MET A 24 8.224 7.407 4.486 1.00 0.00 C ATOM 376 C MET A 24 6.925 6.576 4.190 1.00 0.00 C ATOM 377 O MET A 24 5.829 7.079 4.455 1.00 0.00 O ATOM 378 CB MET A 24 8.912 7.006 5.822 1.00 0.00 C ATOM 379 CG MET A 24 8.054 7.078 7.097 1.00 0.00 C ATOM 380 SD MET A 24 9.056 6.678 8.539 1.00 0.00 S ATOM 381 CE MET A 24 9.700 8.307 8.956 1.00 0.00 C ATOM 0 H MET A 24 7.839 9.250 5.439 1.00 0.00 H new ATOM 0 HA MET A 24 8.857 7.153 3.636 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.282 5.986 5.720 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.781 7.648 5.962 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.631 8.077 7.204 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.217 6.383 7.022 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.343 8.231 9.833 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.276 8.696 8.116 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.871 8.982 9.172 1.00 0.00 H new ATOM 391 N PRO A 25 6.980 5.313 3.681 1.00 0.00 N ATOM 392 CA PRO A 25 5.745 4.506 3.424 1.00 0.00 C ATOM 393 C PRO A 25 5.108 3.790 4.667 1.00 0.00 C ATOM 394 O PRO A 25 5.836 3.445 5.606 1.00 0.00 O ATOM 395 CB PRO A 25 6.269 3.475 2.384 1.00 0.00 C ATOM 396 CG PRO A 25 7.742 3.258 2.791 1.00 0.00 C ATOM 397 CD PRO A 25 8.213 4.669 3.176 1.00 0.00 C ATOM 0 HA PRO A 25 4.919 5.140 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.702 2.545 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.187 3.856 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.831 2.563 3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.330 2.847 1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.992 4.639 3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.624 5.203 2.320 1.00 0.00 H new ATOM 405 N PRO A 26 3.783 3.468 4.687 1.00 0.00 N ATOM 406 CA PRO A 26 3.143 2.746 5.836 1.00 0.00 C ATOM 407 C PRO A 26 3.374 1.209 5.790 1.00 0.00 C ATOM 408 O PRO A 26 2.637 0.454 5.148 1.00 0.00 O ATOM 409 CB PRO A 26 1.660 3.182 5.676 1.00 0.00 C ATOM 410 CG PRO A 26 1.466 3.377 4.156 1.00 0.00 C ATOM 411 CD PRO A 26 2.803 3.984 3.709 1.00 0.00 C ATOM 0 HA PRO A 26 3.556 2.993 6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.981 2.424 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.458 4.104 6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.263 2.432 3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.629 4.041 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.058 3.681 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.768 5.073 3.718 1.00 0.00 H new ATOM 419 N THR A 27 4.415 0.744 6.490 1.00 0.00 N ATOM 420 CA THR A 27 4.921 -0.656 6.343 1.00 0.00 C ATOM 421 C THR A 27 4.138 -1.686 7.225 1.00 0.00 C ATOM 422 O THR A 27 4.567 -2.029 8.332 1.00 0.00 O ATOM 423 CB THR A 27 6.455 -0.739 6.654 1.00 0.00 C ATOM 424 OG1 THR A 27 6.746 -0.364 8.000 1.00 0.00 O ATOM 425 CG2 THR A 27 7.342 0.109 5.757 1.00 0.00 C ATOM 0 H THR A 27 4.933 1.304 7.167 1.00 0.00 H new ATOM 0 HA THR A 27 4.751 -0.929 5.301 1.00 0.00 H new ATOM 0 HB THR A 27 6.685 -1.788 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.137 -0.832 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.384 -0.017 6.052 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.218 -0.205 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.061 1.158 5.855 1.00 0.00 H new ATOM 433 N ARG A 28 2.973 -2.140 6.731 1.00 0.00 N ATOM 434 CA ARG A 28 1.996 -2.983 7.486 1.00 0.00 C ATOM 435 C ARG A 28 1.305 -2.266 8.690 1.00 0.00 C ATOM 436 O ARG A 28 0.077 -2.174 8.714 1.00 0.00 O ATOM 437 CB ARG A 28 2.574 -4.388 7.755 1.00 0.00 C ATOM 438 CG ARG A 28 1.595 -5.511 8.150 1.00 0.00 C ATOM 439 CD ARG A 28 0.931 -5.330 9.514 1.00 0.00 C ATOM 440 NE ARG A 28 0.273 -6.582 9.943 1.00 0.00 N ATOM 441 CZ ARG A 28 -0.412 -6.730 11.068 1.00 0.00 C ATOM 442 NH1 ARG A 28 -0.574 -5.803 11.966 1.00 0.00 N ATOM 443 NH2 ARG A 28 -0.965 -7.869 11.282 1.00 0.00 N ATOM 0 H ARG A 28 2.667 -1.934 5.780 1.00 0.00 H new ATOM 0 HA ARG A 28 1.134 -3.148 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.104 -4.708 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.316 -4.297 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.818 -5.581 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.131 -6.460 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.677 -5.034 10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.197 -4.526 9.463 1.00 0.00 H new ATOM 0 HE ARG A 28 0.352 -7.392 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.158 -4.882 11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.117 -5.997 12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.868 -8.619 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.501 -8.023 12.136 1.00 0.00 H new ATOM 456 N ALA A 29 2.072 -1.796 9.684 1.00 0.00 N ATOM 457 CA ALA A 29 1.537 -1.253 10.956 1.00 0.00 C ATOM 458 C ALA A 29 0.517 -0.076 10.871 1.00 0.00 C ATOM 459 O ALA A 29 -0.534 -0.151 11.508 1.00 0.00 O ATOM 460 CB ALA A 29 2.756 -0.913 11.828 1.00 0.00 C ATOM 0 H ALA A 29 3.091 -1.779 9.634 1.00 0.00 H new ATOM 0 HA ALA A 29 0.904 -2.025 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.419 -0.507 12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.341 -1.816 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.374 -0.174 11.317 1.00 0.00 H new ATOM 466 N GLU A 30 0.792 0.973 10.084 1.00 0.00 N ATOM 467 CA GLU A 30 -0.225 2.018 9.762 1.00 0.00 C ATOM 468 C GLU A 30 -1.401 1.569 8.822 1.00 0.00 C ATOM 469 O GLU A 30 -2.518 2.043 9.016 1.00 0.00 O ATOM 470 CB GLU A 30 0.508 3.259 9.202 1.00 0.00 C ATOM 471 CG GLU A 30 1.190 4.107 10.299 1.00 0.00 C ATOM 472 CD GLU A 30 2.118 5.163 9.734 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.335 5.027 9.665 1.00 0.00 O ATOM 474 OE2 GLU A 30 1.448 6.264 9.300 1.00 0.00 O ATOM 0 H GLU A 30 1.703 1.132 9.654 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.735 2.248 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.259 2.935 8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.205 3.881 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.425 4.590 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.755 3.450 10.961 1.00 0.00 H new ATOM 482 N ILE A 31 -1.193 0.641 7.875 1.00 0.00 N ATOM 483 CA ILE A 31 -2.321 -0.054 7.158 1.00 0.00 C ATOM 484 C ILE A 31 -3.306 -0.810 8.135 1.00 0.00 C ATOM 485 O ILE A 31 -4.514 -0.583 8.065 1.00 0.00 O ATOM 486 CB ILE A 31 -1.753 -0.950 5.994 1.00 0.00 C ATOM 487 CG1 ILE A 31 -1.059 -0.091 4.891 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.855 -1.795 5.313 1.00 0.00 C ATOM 489 CD1 ILE A 31 -0.119 -0.889 3.986 1.00 0.00 C ATOM 0 H ILE A 31 -0.265 0.342 7.575 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.952 0.706 6.697 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.027 -1.612 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.825 0.382 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.495 0.710 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.414 -2.395 4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.317 -2.452 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.612 -1.134 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.325 -0.224 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.670 -1.340 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.681 -1.673 3.479 1.00 0.00 H new ATOM 501 N ALA A 32 -2.792 -1.652 9.043 1.00 0.00 N ATOM 502 CA ALA A 32 -3.593 -2.253 10.137 1.00 0.00 C ATOM 503 C ALA A 32 -4.284 -1.288 11.158 1.00 0.00 C ATOM 504 O ALA A 32 -5.448 -1.518 11.493 1.00 0.00 O ATOM 505 CB ALA A 32 -2.654 -3.247 10.835 1.00 0.00 C ATOM 0 H ALA A 32 -1.813 -1.939 9.046 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.469 -2.715 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.182 -3.730 11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.327 -4.002 10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.785 -2.715 11.224 1.00 0.00 H new ATOM 511 N GLN A 33 -3.601 -0.235 11.630 1.00 0.00 N ATOM 512 CA GLN A 33 -4.207 0.790 12.522 1.00 0.00 C ATOM 513 C GLN A 33 -5.278 1.729 11.850 1.00 0.00 C ATOM 514 O GLN A 33 -6.343 1.928 12.435 1.00 0.00 O ATOM 515 CB GLN A 33 -3.084 1.672 13.132 1.00 0.00 C ATOM 516 CG GLN A 33 -2.172 0.984 14.167 1.00 0.00 C ATOM 517 CD GLN A 33 -0.990 1.860 14.561 1.00 0.00 C ATOM 518 OE1 GLN A 33 -1.086 2.771 15.372 1.00 0.00 O ATOM 519 NE2 GLN A 33 0.161 1.644 13.978 1.00 0.00 N ATOM 0 H GLN A 33 -2.620 -0.062 11.412 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.746 0.221 13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.461 2.046 12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.546 2.539 13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.753 0.739 15.056 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.805 0.043 13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.255 0.888 13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.964 2.232 14.202 1.00 0.00 H new ATOM 528 N ARG A 34 -4.985 2.322 10.685 1.00 0.00 N ATOM 529 CA ARG A 34 -5.903 3.282 10.013 1.00 0.00 C ATOM 530 C ARG A 34 -7.130 2.628 9.274 1.00 0.00 C ATOM 531 O ARG A 34 -8.226 3.187 9.334 1.00 0.00 O ATOM 532 CB ARG A 34 -5.117 4.182 9.021 1.00 0.00 C ATOM 533 CG ARG A 34 -3.903 4.960 9.556 1.00 0.00 C ATOM 534 CD ARG A 34 -4.198 6.012 10.625 1.00 0.00 C ATOM 535 NE ARG A 34 -2.909 6.592 11.087 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.203 6.190 12.133 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.544 5.212 12.920 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.104 6.815 12.381 1.00 0.00 N ATOM 0 H ARG A 34 -4.116 2.159 10.177 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.327 3.875 10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.774 3.553 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.816 4.904 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.190 4.244 9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.413 5.452 8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.841 6.793 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.732 5.562 11.462 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.534 7.372 10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.408 4.698 12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.947 4.960 13.708 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.809 7.586 11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.529 6.539 13.177 1.00 0.00 H new ATOM 551 N LEU A 35 -6.944 1.492 8.586 1.00 0.00 N ATOM 552 CA LEU A 35 -8.054 0.760 7.916 1.00 0.00 C ATOM 553 C LEU A 35 -8.767 -0.357 8.774 1.00 0.00 C ATOM 554 O LEU A 35 -9.941 -0.638 8.517 1.00 0.00 O ATOM 555 CB LEU A 35 -7.545 0.155 6.578 1.00 0.00 C ATOM 556 CG LEU A 35 -6.955 1.135 5.537 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.546 0.361 4.276 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.919 2.256 5.142 1.00 0.00 C ATOM 0 H LEU A 35 -6.032 1.049 8.473 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.826 1.512 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.783 -0.588 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.374 -0.375 6.110 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.092 1.605 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.130 1.053 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.796 -0.387 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.420 -0.133 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.441 2.906 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.822 1.824 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.182 2.837 6.026 1.00 0.00 H new ATOM 570 N GLY A 36 -8.087 -0.973 9.756 1.00 0.00 N ATOM 571 CA GLY A 36 -8.714 -1.941 10.688 1.00 0.00 C ATOM 572 C GLY A 36 -8.467 -3.420 10.363 1.00 0.00 C ATOM 573 O GLY A 36 -9.388 -4.114 9.928 1.00 0.00 O ATOM 0 H GLY A 36 -7.094 -0.819 9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.346 -1.741 11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.789 -1.764 10.700 1.00 0.00 H new ATOM 577 N PHE A 37 -7.245 -3.909 10.614 1.00 0.00 N ATOM 578 CA PHE A 37 -6.864 -5.305 10.283 1.00 0.00 C ATOM 579 C PHE A 37 -6.074 -5.979 11.462 1.00 0.00 C ATOM 580 O PHE A 37 -5.044 -5.472 11.912 1.00 0.00 O ATOM 581 CB PHE A 37 -5.969 -5.388 9.014 1.00 0.00 C ATOM 582 CG PHE A 37 -6.532 -4.809 7.713 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.713 -5.314 7.145 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.859 -3.773 7.050 1.00 0.00 C ATOM 585 CE1 PHE A 37 -8.202 -4.796 5.946 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.343 -3.266 5.844 1.00 0.00 C ATOM 587 CZ PHE A 37 -7.518 -3.770 5.300 1.00 0.00 C ATOM 0 H PHE A 37 -6.497 -3.365 11.045 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.803 -5.828 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.030 -4.878 9.231 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.729 -6.437 8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.247 -6.111 7.641 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.956 -3.363 7.478 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.112 -5.191 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.804 -2.482 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.901 -3.365 4.375 1.00 0.00 H new ATOM 597 N ARG A 38 -6.523 -7.163 11.886 1.00 0.00 N ATOM 598 CA ARG A 38 -5.770 -8.010 12.849 1.00 0.00 C ATOM 599 C ARG A 38 -4.497 -8.757 12.301 1.00 0.00 C ATOM 600 O ARG A 38 -3.470 -8.769 12.983 1.00 0.00 O ATOM 601 CB ARG A 38 -6.732 -8.983 13.583 1.00 0.00 C ATOM 602 CG ARG A 38 -7.604 -9.920 12.719 1.00 0.00 C ATOM 603 CD ARG A 38 -8.026 -11.202 13.451 1.00 0.00 C ATOM 604 NE ARG A 38 -6.905 -12.173 13.446 1.00 0.00 N ATOM 605 CZ ARG A 38 -6.895 -13.339 14.073 1.00 0.00 C ATOM 606 NH1 ARG A 38 -7.879 -13.795 14.792 1.00 0.00 N ATOM 607 NH2 ARG A 38 -5.840 -14.071 13.960 1.00 0.00 N ATOM 0 H ARG A 38 -7.408 -7.569 11.583 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.343 -7.295 13.552 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.135 -9.603 14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.398 -8.388 14.208 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.496 -9.382 12.399 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.053 -10.189 11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.313 -10.969 14.476 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.900 -11.638 12.966 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.071 -11.921 12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.730 -13.243 14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.800 -14.705 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.051 -13.745 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.795 -14.976 14.428 1.00 0.00 H new ATOM 620 N SER A 39 -4.582 -9.397 11.127 1.00 0.00 N ATOM 621 CA SER A 39 -3.554 -10.356 10.644 1.00 0.00 C ATOM 622 C SER A 39 -2.853 -9.920 9.308 1.00 0.00 C ATOM 623 O SER A 39 -3.484 -9.236 8.490 1.00 0.00 O ATOM 624 CB SER A 39 -4.242 -11.736 10.484 1.00 0.00 C ATOM 625 OG SER A 39 -4.504 -12.332 11.755 1.00 0.00 O ATOM 0 H SER A 39 -5.360 -9.271 10.479 1.00 0.00 H new ATOM 0 HA SER A 39 -2.749 -10.394 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.176 -11.618 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.606 -12.396 9.894 1.00 0.00 H new ATOM 0 HG SER A 39 -3.916 -13.105 11.881 1.00 0.00 H new ATOM 631 N PRO A 40 -1.571 -10.299 9.018 1.00 0.00 N ATOM 632 CA PRO A 40 -0.857 -9.852 7.768 1.00 0.00 C ATOM 633 C PRO A 40 -1.383 -10.358 6.395 1.00 0.00 C ATOM 634 O PRO A 40 -1.137 -9.699 5.384 1.00 0.00 O ATOM 635 CB PRO A 40 0.605 -10.270 8.065 1.00 0.00 C ATOM 636 CG PRO A 40 0.474 -11.508 8.981 1.00 0.00 C ATOM 637 CD PRO A 40 -0.732 -11.171 9.875 1.00 0.00 C ATOM 0 HA PRO A 40 -1.014 -8.786 7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.144 -10.510 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.155 -9.468 8.557 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.304 -12.417 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.377 -11.668 9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.269 -12.070 10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.424 -10.660 10.787 1.00 0.00 H new ATOM 645 N ASN A 41 -2.151 -11.456 6.345 1.00 0.00 N ATOM 646 CA ASN A 41 -2.970 -11.822 5.153 1.00 0.00 C ATOM 647 C ASN A 41 -4.043 -10.790 4.630 1.00 0.00 C ATOM 648 O ASN A 41 -4.491 -10.935 3.492 1.00 0.00 O ATOM 649 CB ASN A 41 -3.575 -13.232 5.370 1.00 0.00 C ATOM 650 CG ASN A 41 -4.592 -13.381 6.487 1.00 0.00 C ATOM 651 OD1 ASN A 41 -4.249 -13.516 7.654 1.00 0.00 O ATOM 652 ND2 ASN A 41 -5.866 -13.351 6.192 1.00 0.00 N ATOM 0 H ASN A 41 -2.230 -12.118 7.117 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.260 -11.808 4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.047 -13.545 4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.757 -13.926 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.563 -13.440 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.162 -13.239 5.223 1.00 0.00 H new ATOM 659 N ALA A 42 -4.429 -9.782 5.425 1.00 0.00 N ATOM 660 CA ALA A 42 -5.078 -8.556 4.907 1.00 0.00 C ATOM 661 C ALA A 42 -4.092 -7.345 4.813 1.00 0.00 C ATOM 662 O ALA A 42 -3.840 -6.879 3.702 1.00 0.00 O ATOM 663 CB ALA A 42 -6.314 -8.295 5.773 1.00 0.00 C ATOM 0 H ALA A 42 -4.304 -9.787 6.437 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.394 -8.697 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.821 -7.397 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.993 -9.145 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.009 -8.157 6.810 1.00 0.00 H new ATOM 669 N ALA A 43 -3.513 -6.847 5.922 1.00 0.00 N ATOM 670 CA ALA A 43 -2.661 -5.624 5.895 1.00 0.00 C ATOM 671 C ALA A 43 -1.368 -5.641 5.011 1.00 0.00 C ATOM 672 O ALA A 43 -1.121 -4.683 4.276 1.00 0.00 O ATOM 673 CB ALA A 43 -2.332 -5.279 7.354 1.00 0.00 C ATOM 0 H ALA A 43 -3.614 -7.264 6.847 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.250 -4.861 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.707 -4.386 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.256 -5.094 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.799 -6.111 7.813 1.00 0.00 H new ATOM 679 N GLU A 44 -0.567 -6.711 5.080 1.00 0.00 N ATOM 680 CA GLU A 44 0.593 -6.908 4.168 1.00 0.00 C ATOM 681 C GLU A 44 0.220 -7.461 2.755 1.00 0.00 C ATOM 682 O GLU A 44 0.734 -6.939 1.763 1.00 0.00 O ATOM 683 CB GLU A 44 1.616 -7.792 4.923 1.00 0.00 C ATOM 684 CG GLU A 44 3.024 -7.811 4.292 1.00 0.00 C ATOM 685 CD GLU A 44 4.040 -8.524 5.173 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.466 -8.047 6.220 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.411 -9.739 4.675 1.00 0.00 O ATOM 0 H GLU A 44 -0.692 -7.463 5.757 1.00 0.00 H new ATOM 0 HA GLU A 44 1.030 -5.939 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.696 -7.438 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.236 -8.813 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.978 -8.304 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.354 -6.788 4.115 1.00 0.00 H new ATOM 695 N GLU A 45 -0.647 -8.487 2.644 1.00 0.00 N ATOM 696 CA GLU A 45 -1.053 -9.042 1.324 1.00 0.00 C ATOM 697 C GLU A 45 -1.944 -8.140 0.417 1.00 0.00 C ATOM 698 O GLU A 45 -1.785 -8.246 -0.798 1.00 0.00 O ATOM 699 CB GLU A 45 -1.598 -10.470 1.534 1.00 0.00 C ATOM 700 CG GLU A 45 -1.928 -11.290 0.266 1.00 0.00 C ATOM 701 CD GLU A 45 -0.815 -11.457 -0.759 1.00 0.00 C ATOM 702 OE1 GLU A 45 0.293 -11.917 -0.503 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.186 -11.035 -1.999 1.00 0.00 O ATOM 0 H GLU A 45 -1.081 -8.950 3.443 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.151 -9.078 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.867 -11.029 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.503 -10.402 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.251 -12.283 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.777 -10.820 -0.230 1.00 0.00 H new ATOM 711 N HIS A 46 -2.799 -7.230 0.916 1.00 0.00 N ATOM 712 CA HIS A 46 -3.393 -6.160 0.053 1.00 0.00 C ATOM 713 C HIS A 46 -2.341 -5.188 -0.616 1.00 0.00 C ATOM 714 O HIS A 46 -2.504 -4.868 -1.792 1.00 0.00 O ATOM 715 CB HIS A 46 -4.424 -5.306 0.818 1.00 0.00 C ATOM 716 CG HIS A 46 -5.719 -5.972 1.266 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.416 -6.949 0.566 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.416 -5.609 2.425 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.472 -7.124 1.421 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.556 -6.369 2.559 1.00 0.00 N ATOM 0 H HIS A 46 -3.098 -7.202 1.891 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.878 -6.720 -0.747 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.932 -4.904 1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.687 -4.457 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.103 -4.841 3.117 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.235 -7.855 1.198 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.261 -6.369 3.296 1.00 0.00 H new ATOM 728 N LEU A 47 -1.284 -4.772 0.102 1.00 0.00 N ATOM 729 CA LEU A 47 -0.109 -4.088 -0.515 1.00 0.00 C ATOM 730 C LEU A 47 0.704 -4.956 -1.542 1.00 0.00 C ATOM 731 O LEU A 47 1.005 -4.463 -2.630 1.00 0.00 O ATOM 732 CB LEU A 47 0.753 -3.545 0.654 1.00 0.00 C ATOM 733 CG LEU A 47 1.860 -2.534 0.277 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.288 -1.191 -0.188 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.760 -2.288 1.501 1.00 0.00 C ATOM 0 H LEU A 47 -1.209 -4.893 1.112 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.462 -3.274 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.089 -3.071 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.220 -4.392 1.157 1.00 0.00 H new ATOM 0 HG LEU A 47 2.427 -2.963 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.105 -0.516 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.661 -1.347 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.690 -0.754 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.542 -1.575 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.161 -1.886 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.215 -3.228 1.813 1.00 0.00 H new ATOM 747 N LYS A 48 1.006 -6.230 -1.236 1.00 0.00 N ATOM 748 CA LYS A 48 1.579 -7.190 -2.224 1.00 0.00 C ATOM 749 C LYS A 48 0.683 -7.484 -3.485 1.00 0.00 C ATOM 750 O LYS A 48 1.196 -7.412 -4.599 1.00 0.00 O ATOM 751 CB LYS A 48 1.932 -8.523 -1.519 1.00 0.00 C ATOM 752 CG LYS A 48 3.087 -8.444 -0.503 1.00 0.00 C ATOM 753 CD LYS A 48 3.178 -9.743 0.319 1.00 0.00 C ATOM 754 CE LYS A 48 4.464 -9.804 1.144 1.00 0.00 C ATOM 755 NZ LYS A 48 4.426 -11.002 2.006 1.00 0.00 N ATOM 0 H LYS A 48 0.865 -6.630 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 48 2.469 -6.694 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.043 -8.890 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.189 -9.260 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.027 -8.272 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.934 -7.596 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.316 -9.814 0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.135 -10.601 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.332 -9.841 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.564 -8.905 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.417 -10.711 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.569 -11.552 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.266 -11.588 1.824 1.00 0.00 H new ATOM 768 N ALA A 49 -0.617 -7.768 -3.322 1.00 0.00 N ATOM 769 CA ALA A 49 -1.584 -7.830 -4.448 1.00 0.00 C ATOM 770 C ALA A 49 -1.771 -6.520 -5.290 1.00 0.00 C ATOM 771 O ALA A 49 -1.883 -6.603 -6.510 1.00 0.00 O ATOM 772 CB ALA A 49 -2.917 -8.310 -3.852 1.00 0.00 C ATOM 0 H ALA A 49 -1.035 -7.962 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.176 -8.517 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.666 -8.373 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.781 -9.293 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.250 -7.605 -3.091 1.00 0.00 H new ATOM 778 N LEU A 50 -1.779 -5.337 -4.663 1.00 0.00 N ATOM 779 CA LEU A 50 -1.627 -4.025 -5.368 1.00 0.00 C ATOM 780 C LEU A 50 -0.307 -3.839 -6.199 1.00 0.00 C ATOM 781 O LEU A 50 -0.371 -3.374 -7.338 1.00 0.00 O ATOM 782 CB LEU A 50 -1.786 -2.974 -4.240 1.00 0.00 C ATOM 783 CG LEU A 50 -1.854 -1.491 -4.632 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.094 -1.140 -5.443 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.831 -0.650 -3.343 1.00 0.00 C ATOM 0 H LEU A 50 -1.890 -5.245 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.375 -3.931 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.694 -3.214 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.951 -3.098 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.996 -1.276 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.080 -0.078 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.104 -1.724 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.986 -1.367 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.879 0.409 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.688 -0.912 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.911 -0.850 -2.794 1.00 0.00 H new ATOM 797 N ALA A 51 0.861 -4.226 -5.667 1.00 0.00 N ATOM 798 CA ALA A 51 2.106 -4.370 -6.474 1.00 0.00 C ATOM 799 C ALA A 51 2.054 -5.427 -7.640 1.00 0.00 C ATOM 800 O ALA A 51 2.473 -5.120 -8.756 1.00 0.00 O ATOM 801 CB ALA A 51 3.244 -4.652 -5.487 1.00 0.00 C ATOM 0 H ALA A 51 0.981 -4.448 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 51 2.260 -3.439 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.180 -4.766 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.332 -3.822 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.031 -5.569 -4.938 1.00 0.00 H new ATOM 807 N ARG A 52 1.486 -6.612 -7.384 1.00 0.00 N ATOM 808 CA ARG A 52 1.140 -7.634 -8.419 1.00 0.00 C ATOM 809 C ARG A 52 0.193 -7.177 -9.590 1.00 0.00 C ATOM 810 O ARG A 52 0.395 -7.612 -10.724 1.00 0.00 O ATOM 811 CB ARG A 52 0.534 -8.805 -7.607 1.00 0.00 C ATOM 812 CG ARG A 52 0.466 -10.178 -8.298 1.00 0.00 C ATOM 813 CD ARG A 52 -0.311 -11.214 -7.452 1.00 0.00 C ATOM 814 NE ARG A 52 0.409 -11.552 -6.198 1.00 0.00 N ATOM 815 CZ ARG A 52 -0.080 -12.247 -5.187 1.00 0.00 C ATOM 816 NH1 ARG A 52 -1.281 -12.745 -5.148 1.00 0.00 N ATOM 817 NH2 ARG A 52 0.697 -12.445 -4.176 1.00 0.00 N ATOM 0 H ARG A 52 1.243 -6.907 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 52 2.040 -7.891 -8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.114 -8.916 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.477 -8.524 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.014 -10.071 -9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.477 -10.543 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.298 -10.819 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.465 -12.120 -8.038 1.00 0.00 H new ATOM 0 HE ARG A 52 1.368 -11.217 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.915 -12.609 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.588 -13.272 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.646 -12.070 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.363 -12.976 -3.372 1.00 0.00 H new ATOM 830 N LYS A 53 -0.787 -6.292 -9.335 1.00 0.00 N ATOM 831 CA LYS A 53 -1.501 -5.534 -10.404 1.00 0.00 C ATOM 832 C LYS A 53 -0.600 -4.613 -11.338 1.00 0.00 C ATOM 833 O LYS A 53 -0.919 -4.457 -12.519 1.00 0.00 O ATOM 834 CB LYS A 53 -2.587 -4.622 -9.759 1.00 0.00 C ATOM 835 CG LYS A 53 -3.750 -5.299 -9.024 1.00 0.00 C ATOM 836 CD LYS A 53 -4.799 -5.936 -9.943 1.00 0.00 C ATOM 837 CE LYS A 53 -5.948 -6.605 -9.172 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.506 -7.869 -8.545 1.00 0.00 N ATOM 0 H LYS A 53 -1.112 -6.076 -8.393 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.913 -6.311 -11.048 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.089 -3.956 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.008 -3.996 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.348 -6.068 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.241 -4.561 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.209 -5.171 -10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.315 -6.678 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.319 -5.925 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.778 -6.803 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.302 -8.299 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.175 -8.525 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.730 -7.674 -7.881 1.00 0.00 H new ATOM 851 N GLY A 54 0.466 -4.013 -10.791 1.00 0.00 N ATOM 852 CA GLY A 54 1.431 -3.195 -11.561 1.00 0.00 C ATOM 853 C GLY A 54 1.382 -1.680 -11.306 1.00 0.00 C ATOM 854 O GLY A 54 1.251 -0.913 -12.261 1.00 0.00 O ATOM 0 H GLY A 54 0.690 -4.078 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.437 -3.549 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.260 -3.371 -12.623 1.00 0.00 H new ATOM 858 N VAL A 55 1.534 -1.254 -10.041 1.00 0.00 N ATOM 859 CA VAL A 55 1.481 0.192 -9.658 1.00 0.00 C ATOM 860 C VAL A 55 2.646 0.649 -8.716 1.00 0.00 C ATOM 861 O VAL A 55 3.329 1.622 -9.052 1.00 0.00 O ATOM 862 CB VAL A 55 0.038 0.607 -9.238 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.409 0.213 -7.828 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.208 2.112 -9.446 1.00 0.00 C ATOM 0 H VAL A 55 1.696 -1.883 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 55 1.693 0.783 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.580 0.014 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.429 0.559 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.372 -0.871 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.255 0.671 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.225 2.360 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.500 2.683 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.074 2.361 -10.499 1.00 0.00 H new ATOM 874 N ILE A 56 2.880 -0.022 -7.573 1.00 0.00 N ATOM 875 CA ILE A 56 4.030 0.274 -6.675 1.00 0.00 C ATOM 876 C ILE A 56 5.174 -0.808 -6.774 1.00 0.00 C ATOM 877 O ILE A 56 4.936 -2.016 -6.837 1.00 0.00 O ATOM 878 CB ILE A 56 3.659 0.523 -5.164 1.00 0.00 C ATOM 879 CG1 ILE A 56 3.103 -0.658 -4.348 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.838 1.809 -4.949 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.662 -1.066 -4.587 1.00 0.00 C ATOM 0 H ILE A 56 2.286 -0.781 -7.241 1.00 0.00 H new ATOM 0 HA ILE A 56 4.400 1.225 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 56 4.649 0.659 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.733 -1.526 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.212 -0.415 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.614 1.925 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.412 2.669 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.907 1.744 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.411 -1.909 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.004 -0.227 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.534 -1.355 -5.630 1.00 0.00 H new ATOM 893 N GLU A 57 6.415 -0.331 -6.666 1.00 0.00 N ATOM 894 CA GLU A 57 7.573 -1.145 -6.200 1.00 0.00 C ATOM 895 C GLU A 57 7.441 -1.557 -4.693 1.00 0.00 C ATOM 896 O GLU A 57 6.997 -0.752 -3.873 1.00 0.00 O ATOM 897 CB GLU A 57 8.782 -0.182 -6.392 1.00 0.00 C ATOM 898 CG GLU A 57 10.177 -0.699 -5.981 1.00 0.00 C ATOM 899 CD GLU A 57 11.185 0.441 -5.895 1.00 0.00 C ATOM 900 OE1 GLU A 57 12.058 0.647 -6.731 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.981 1.219 -4.794 1.00 0.00 O ATOM 0 H GLU A 57 6.661 0.632 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 57 7.662 -2.084 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.824 0.099 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.580 0.728 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.111 -1.203 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.521 -1.438 -6.704 1.00 0.00 H new ATOM 909 N ILE A 58 7.883 -2.765 -4.330 1.00 0.00 N ATOM 910 CA ILE A 58 8.139 -3.128 -2.898 1.00 0.00 C ATOM 911 C ILE A 58 9.619 -3.646 -2.825 1.00 0.00 C ATOM 912 O ILE A 58 9.945 -4.709 -3.366 1.00 0.00 O ATOM 913 CB ILE A 58 7.106 -4.178 -2.339 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.649 -3.630 -2.366 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.450 -4.582 -0.877 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.568 -4.681 -2.108 1.00 0.00 C ATOM 0 H ILE A 58 8.076 -3.518 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 58 8.004 -2.256 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 58 7.174 -5.049 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.557 -2.842 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.466 -3.170 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.720 -5.307 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.446 -5.024 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.426 -3.698 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.586 -4.210 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.627 -5.458 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.720 -5.125 -1.124 1.00 0.00 H new ATOM 928 N VAL A 59 10.493 -2.917 -2.121 1.00 0.00 N ATOM 929 CA VAL A 59 11.911 -3.337 -1.898 1.00 0.00 C ATOM 930 C VAL A 59 11.953 -4.475 -0.819 1.00 0.00 C ATOM 931 O VAL A 59 11.776 -4.239 0.379 1.00 0.00 O ATOM 932 CB VAL A 59 12.789 -2.098 -1.513 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.263 -2.465 -1.218 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.839 -1.022 -2.626 1.00 0.00 C ATOM 0 H VAL A 59 10.256 -2.025 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 59 12.334 -3.743 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 59 12.299 -1.713 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.817 -1.563 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.303 -3.168 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.708 -2.922 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.462 -0.190 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.259 -1.456 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.831 -0.662 -2.830 1.00 0.00 H new ATOM 944 N SER A 60 12.180 -5.716 -1.269 1.00 0.00 N ATOM 945 CA SER A 60 12.156 -6.908 -0.378 1.00 0.00 C ATOM 946 C SER A 60 13.521 -7.133 0.347 1.00 0.00 C ATOM 947 O SER A 60 14.397 -7.866 -0.116 1.00 0.00 O ATOM 948 CB SER A 60 11.711 -8.119 -1.230 1.00 0.00 C ATOM 949 OG SER A 60 10.369 -7.956 -1.698 1.00 0.00 O ATOM 0 H SER A 60 12.384 -5.932 -2.245 1.00 0.00 H new ATOM 0 HA SER A 60 11.443 -6.758 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.384 -8.236 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.784 -9.031 -0.637 1.00 0.00 H new ATOM 0 HG SER A 60 10.113 -8.735 -2.235 1.00 0.00 H new ATOM 955 N GLY A 61 13.683 -6.448 1.484 1.00 0.00 N ATOM 956 CA GLY A 61 14.973 -6.398 2.216 1.00 0.00 C ATOM 957 C GLY A 61 15.080 -5.164 3.124 1.00 0.00 C ATOM 958 O GLY A 61 14.952 -5.276 4.344 1.00 0.00 O ATOM 0 H GLY A 61 12.936 -5.914 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.082 -7.300 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.795 -6.392 1.500 1.00 0.00 H new ATOM 962 N ALA A 62 15.278 -3.983 2.522 1.00 0.00 N ATOM 963 CA ALA A 62 15.133 -2.693 3.242 1.00 0.00 C ATOM 964 C ALA A 62 13.632 -2.274 3.368 1.00 0.00 C ATOM 965 O ALA A 62 13.000 -1.873 2.387 1.00 0.00 O ATOM 966 CB ALA A 62 15.969 -1.661 2.470 1.00 0.00 C ATOM 0 H ALA A 62 15.539 -3.886 1.541 1.00 0.00 H new ATOM 0 HA ALA A 62 15.493 -2.773 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.895 -0.691 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.011 -1.979 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.595 -1.580 1.449 1.00 0.00 H new ATOM 972 N SER A 63 13.075 -2.405 4.580 1.00 0.00 N ATOM 973 CA SER A 63 11.603 -2.330 4.803 1.00 0.00 C ATOM 974 C SER A 63 10.858 -1.014 4.416 1.00 0.00 C ATOM 975 O SER A 63 9.781 -1.099 3.819 1.00 0.00 O ATOM 976 CB SER A 63 11.315 -2.697 6.285 1.00 0.00 C ATOM 977 OG SER A 63 11.811 -3.991 6.637 1.00 0.00 O ATOM 0 H SER A 63 13.614 -2.564 5.431 1.00 0.00 H new ATOM 0 HA SER A 63 11.187 -3.043 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.768 -1.949 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.240 -2.664 6.461 1.00 0.00 H new ATOM 0 HG SER A 63 11.607 -4.175 7.578 1.00 0.00 H new ATOM 983 N ARG A 64 11.404 0.175 4.717 1.00 0.00 N ATOM 984 CA ARG A 64 10.799 1.465 4.275 1.00 0.00 C ATOM 985 C ARG A 64 11.194 1.869 2.802 1.00 0.00 C ATOM 986 O ARG A 64 11.811 2.907 2.549 1.00 0.00 O ATOM 987 CB ARG A 64 11.156 2.562 5.311 1.00 0.00 C ATOM 988 CG ARG A 64 10.400 2.440 6.653 1.00 0.00 C ATOM 989 CD ARG A 64 10.755 3.553 7.652 1.00 0.00 C ATOM 990 NE ARG A 64 12.110 3.344 8.213 1.00 0.00 N ATOM 991 CZ ARG A 64 12.735 4.162 9.041 1.00 0.00 C ATOM 992 NH1 ARG A 64 12.240 5.279 9.488 1.00 0.00 N ATOM 993 NH2 ARG A 64 13.915 3.822 9.429 1.00 0.00 N ATOM 0 H ARG A 64 12.260 0.282 5.262 1.00 0.00 H new ATOM 0 HA ARG A 64 9.716 1.344 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.228 2.525 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.945 3.539 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.327 2.461 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.624 1.473 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.708 4.522 7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.022 3.572 8.458 1.00 0.00 H new ATOM 0 HE ARG A 64 12.603 2.495 7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.307 5.575 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.785 5.859 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.330 2.951 9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.435 4.423 10.068 1.00 0.00 H new ATOM 1006 N GLY A 65 10.750 1.057 1.835 1.00 0.00 N ATOM 1007 CA GLY A 65 10.987 1.299 0.394 1.00 0.00 C ATOM 1008 C GLY A 65 9.824 0.825 -0.490 1.00 0.00 C ATOM 1009 O GLY A 65 9.917 -0.219 -1.135 1.00 0.00 O ATOM 0 H GLY A 65 10.214 0.210 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.150 2.364 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.900 0.787 0.090 1.00 0.00 H new ATOM 1013 N ILE A 66 8.735 1.597 -0.514 1.00 0.00 N ATOM 1014 CA ILE A 66 7.528 1.277 -1.331 1.00 0.00 C ATOM 1015 C ILE A 66 7.202 2.562 -2.168 1.00 0.00 C ATOM 1016 O ILE A 66 6.741 3.567 -1.621 1.00 0.00 O ATOM 1017 CB ILE A 66 6.327 0.769 -0.459 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.632 -0.549 0.323 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.077 0.486 -1.335 1.00 0.00 C ATOM 1020 CD1 ILE A 66 7.062 -0.327 1.772 1.00 0.00 C ATOM 0 H ILE A 66 8.650 2.460 0.024 1.00 0.00 H new ATOM 0 HA ILE A 66 7.722 0.440 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 66 6.148 1.575 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.743 -1.180 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.418 -1.095 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.261 0.135 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.774 1.401 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.317 -0.278 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.255 -1.289 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.969 0.277 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.269 0.190 2.312 1.00 0.00 H new ATOM 1032 N ARG A 67 7.486 2.523 -3.476 1.00 0.00 N ATOM 1033 CA ARG A 67 7.486 3.734 -4.343 1.00 0.00 C ATOM 1034 C ARG A 67 6.536 3.561 -5.577 1.00 0.00 C ATOM 1035 O ARG A 67 6.491 2.491 -6.190 1.00 0.00 O ATOM 1036 CB ARG A 67 8.931 4.021 -4.852 1.00 0.00 C ATOM 1037 CG ARG A 67 9.970 4.310 -3.748 1.00 0.00 C ATOM 1038 CD ARG A 67 11.313 4.843 -4.269 1.00 0.00 C ATOM 1039 NE ARG A 67 12.085 3.816 -5.011 1.00 0.00 N ATOM 1040 CZ ARG A 67 13.301 3.993 -5.513 1.00 0.00 C ATOM 1041 NH1 ARG A 67 13.994 5.087 -5.388 1.00 0.00 N ATOM 1042 NH2 ARG A 67 13.834 3.021 -6.172 1.00 0.00 N ATOM 0 H ARG A 67 7.722 1.663 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 67 7.124 4.569 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.271 3.164 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.898 4.874 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.550 5.035 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.149 3.394 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.132 5.698 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.907 5.203 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 67 11.648 2.904 -5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.607 5.880 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.924 5.151 -5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.322 2.147 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.767 3.126 -6.570 1.00 0.00 H new ATOM 1055 N LEU A 68 5.813 4.618 -5.974 1.00 0.00 N ATOM 1056 CA LEU A 68 4.914 4.570 -7.159 1.00 0.00 C ATOM 1057 C LEU A 68 5.699 4.615 -8.522 1.00 0.00 C ATOM 1058 O LEU A 68 6.172 5.668 -8.954 1.00 0.00 O ATOM 1059 CB LEU A 68 3.873 5.724 -7.108 1.00 0.00 C ATOM 1060 CG LEU A 68 2.623 5.474 -6.237 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.862 5.707 -4.744 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.491 6.403 -6.705 1.00 0.00 C ATOM 0 H LEU A 68 5.826 5.520 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 68 4.397 3.612 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.373 6.621 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.545 5.935 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 68 2.360 4.423 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.941 5.513 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.644 5.035 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.171 6.740 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.604 6.232 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.807 7.441 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.258 6.195 -7.749 1.00 0.00 H new ATOM 1074 N LEU A 69 5.760 3.470 -9.206 1.00 0.00 N ATOM 1075 CA LEU A 69 6.334 3.364 -10.577 1.00 0.00 C ATOM 1076 C LEU A 69 5.466 4.031 -11.705 1.00 0.00 C ATOM 1077 O LEU A 69 5.973 4.823 -12.499 1.00 0.00 O ATOM 1078 CB LEU A 69 6.606 1.869 -10.898 1.00 0.00 C ATOM 1079 CG LEU A 69 7.659 1.150 -10.025 1.00 0.00 C ATOM 1080 CD1 LEU A 69 7.610 -0.360 -10.314 1.00 0.00 C ATOM 1081 CD2 LEU A 69 9.080 1.660 -10.273 1.00 0.00 C ATOM 0 H LEU A 69 5.417 2.583 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 69 7.263 3.934 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.665 1.326 -10.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.921 1.797 -11.939 1.00 0.00 H new ATOM 0 HG LEU A 69 7.414 1.358 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.351 -0.872 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.617 -0.743 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.827 -0.536 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.777 1.120 -9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.347 1.499 -11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.129 2.725 -10.045 1.00 0.00 H new