USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 563 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 52 THR OG1 : rot -102:sc= 0.962 USER MOD Set 1.2: A 71 TYR OH : rot -1:sc= 0.929 USER MOD Single : A 8 LYS NZ :NH3+ 134:sc= 0.0404 (180deg=-0.454) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.31 K(o=-0.31,f=-1) USER MOD Single : A 14 GLN :FLIP amide:sc= -2.61! C(o=-3.8!,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 24 ASN : amide:sc= -0.679 K(o=-0.68,f=-3.4!) USER MOD Single : A 25 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.04) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 34:sc= 0.195 USER MOD Single : A 39 THR OG1 : rot 180:sc= -3.16! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 66 GLN : amide:sc=-0.00324 X(o=-0.0032,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.877 -10.427 -4.448 1.00 0.00 N ATOM 27 CA ILE A 3 -1.926 -9.616 -3.708 1.00 0.00 C ATOM 28 C ILE A 3 -2.195 -8.137 -3.990 1.00 0.00 C ATOM 29 O ILE A 3 -2.319 -7.337 -3.064 1.00 0.00 O ATOM 30 CB ILE A 3 -0.493 -10.051 -4.021 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.409 -9.892 -2.795 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.054 -9.301 -5.237 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.606 -8.415 -2.448 1.00 0.00 C ATOM 0 HA ILE A 3 -2.053 -9.764 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.505 -11.111 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.031 -10.413 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.376 -10.356 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.074 -9.629 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.572 -9.509 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.050 -8.230 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.251 -8.330 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.068 -7.902 -3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.361 -7.960 -2.232 1.00 0.00 H new ATOM 45 N GLU A 4 -2.278 -7.818 -5.274 1.00 0.00 N ATOM 46 CA GLU A 4 -2.530 -6.449 -5.690 1.00 0.00 C ATOM 47 C GLU A 4 -4.010 -6.104 -5.511 1.00 0.00 C ATOM 48 O GLU A 4 -4.345 -5.106 -4.874 1.00 0.00 O ATOM 49 CB GLU A 4 -2.086 -6.225 -7.137 1.00 0.00 C ATOM 50 CG GLU A 4 -2.924 -7.064 -8.104 1.00 0.00 C ATOM 51 CD GLU A 4 -2.290 -7.094 -9.496 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.778 -6.067 -9.965 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.342 -8.235 -10.094 1.00 0.00 O ATOM 0 H GLU A 4 -2.175 -8.484 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.943 -5.784 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.180 -5.169 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.033 -6.486 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.018 -8.080 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.932 -6.653 -8.168 1.00 0.00 H new ATOM 61 N GLU A 5 -4.855 -6.948 -6.084 1.00 0.00 N ATOM 62 CA GLU A 5 -6.291 -6.744 -5.995 1.00 0.00 C ATOM 63 C GLU A 5 -6.694 -6.429 -4.554 1.00 0.00 C ATOM 64 O GLU A 5 -7.729 -5.806 -4.317 1.00 0.00 O ATOM 65 CB GLU A 5 -7.051 -7.963 -6.523 1.00 0.00 C ATOM 66 CG GLU A 5 -6.419 -9.263 -6.021 1.00 0.00 C ATOM 67 CD GLU A 5 -7.398 -10.432 -6.144 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.091 -10.765 -5.170 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.426 -11.001 -7.301 1.00 0.00 O ATOM 0 H GLU A 5 -4.573 -7.774 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.557 -5.892 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.092 -7.913 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.051 -7.952 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.517 -9.478 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.116 -9.146 -4.981 1.00 0.00 H new ATOM 77 N ARG A 6 -5.857 -6.872 -3.628 1.00 0.00 N ATOM 78 CA ARG A 6 -6.113 -6.645 -2.216 1.00 0.00 C ATOM 79 C ARG A 6 -5.337 -5.421 -1.726 1.00 0.00 C ATOM 80 O ARG A 6 -5.803 -4.697 -0.847 1.00 0.00 O ATOM 81 CB ARG A 6 -5.713 -7.862 -1.380 1.00 0.00 C ATOM 82 CG ARG A 6 -6.800 -8.938 -1.422 1.00 0.00 C ATOM 83 CD ARG A 6 -6.538 -10.023 -0.376 1.00 0.00 C ATOM 84 NE ARG A 6 -7.107 -9.616 0.929 1.00 0.00 N ATOM 85 CZ ARG A 6 -8.391 -9.822 1.292 1.00 0.00 C ATOM 86 NH1 ARG A 6 -9.252 -10.433 0.450 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.792 -9.417 2.482 1.00 0.00 N ATOM 0 H ARG A 6 -5.000 -7.388 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.183 -6.473 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.775 -8.273 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.538 -7.557 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.774 -8.483 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.835 -9.386 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.982 -10.965 -0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.466 -10.193 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.490 -9.151 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.934 -10.743 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.220 -10.585 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.135 -8.956 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.759 -9.565 2.772 1.00 0.00 H new ATOM 100 N VAL A 7 -4.167 -5.227 -2.316 1.00 0.00 N ATOM 101 CA VAL A 7 -3.322 -4.103 -1.950 1.00 0.00 C ATOM 102 C VAL A 7 -4.149 -2.816 -1.983 1.00 0.00 C ATOM 103 O VAL A 7 -4.213 -2.089 -0.993 1.00 0.00 O ATOM 104 CB VAL A 7 -2.097 -4.049 -2.866 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.476 -2.651 -2.870 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.066 -5.106 -2.465 1.00 0.00 C ATOM 0 H VAL A 7 -3.784 -5.829 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.947 -4.223 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.427 -4.271 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.608 -2.641 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.210 -1.928 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.167 -2.387 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.206 -5.046 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.743 -4.929 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.514 -6.097 -2.538 1.00 0.00 H new ATOM 116 N LYS A 8 -4.763 -2.574 -3.133 1.00 0.00 N ATOM 117 CA LYS A 8 -5.584 -1.388 -3.308 1.00 0.00 C ATOM 118 C LYS A 8 -6.482 -1.210 -2.082 1.00 0.00 C ATOM 119 O LYS A 8 -6.596 -0.108 -1.546 1.00 0.00 O ATOM 120 CB LYS A 8 -6.352 -1.458 -4.629 1.00 0.00 C ATOM 121 CG LYS A 8 -5.609 -0.707 -5.736 1.00 0.00 C ATOM 122 CD LYS A 8 -4.571 -1.608 -6.408 1.00 0.00 C ATOM 123 CE LYS A 8 -5.171 -2.326 -7.619 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.294 -3.777 -7.352 1.00 0.00 N ATOM 0 H LYS A 8 -4.708 -3.179 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.959 -0.498 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.488 -2.500 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.346 -1.031 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.322 -0.350 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.117 0.171 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.715 -1.011 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.202 -2.342 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.151 -1.908 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.542 -2.163 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.234 -4.106 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.562 -4.291 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.172 -3.954 -6.335 1.00 0.00 H new ATOM 137 N LYS A 9 -7.098 -2.310 -1.675 1.00 0.00 N ATOM 138 CA LYS A 9 -7.983 -2.289 -0.523 1.00 0.00 C ATOM 139 C LYS A 9 -7.206 -1.805 0.703 1.00 0.00 C ATOM 140 O LYS A 9 -7.607 -0.843 1.357 1.00 0.00 O ATOM 141 CB LYS A 9 -8.646 -3.654 -0.331 1.00 0.00 C ATOM 142 CG LYS A 9 -10.149 -3.505 -0.084 1.00 0.00 C ATOM 143 CD LYS A 9 -10.838 -4.870 -0.053 1.00 0.00 C ATOM 144 CE LYS A 9 -12.321 -4.744 -0.407 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.950 -6.081 -0.486 1.00 0.00 N ATOM 0 H LYS A 9 -7.002 -3.222 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.799 -1.584 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.479 -4.271 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.185 -4.171 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.316 -2.988 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.590 -2.889 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.349 -5.544 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.733 -5.312 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.830 -4.140 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.431 -4.227 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.956 -5.978 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.475 -6.646 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.862 -6.561 0.432 1.00 0.00 H new ATOM 158 N ILE A 10 -6.108 -2.494 0.978 1.00 0.00 N ATOM 159 CA ILE A 10 -5.271 -2.146 2.114 1.00 0.00 C ATOM 160 C ILE A 10 -5.086 -0.628 2.160 1.00 0.00 C ATOM 161 O ILE A 10 -5.315 -0.003 3.194 1.00 0.00 O ATOM 162 CB ILE A 10 -3.955 -2.925 2.068 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.183 -4.405 2.382 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.913 -2.296 2.994 1.00 0.00 C ATOM 165 CD1 ILE A 10 -3.066 -5.269 1.792 1.00 0.00 C ATOM 0 H ILE A 10 -5.779 -3.291 0.434 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.754 -2.437 3.047 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.560 -2.868 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.227 -4.549 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.145 -4.722 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.987 -2.869 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.722 -1.269 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.286 -2.301 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.252 -6.316 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.040 -5.141 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.109 -4.965 2.216 1.00 0.00 H new ATOM 177 N ILE A 11 -4.674 -0.080 1.026 1.00 0.00 N ATOM 178 CA ILE A 11 -4.455 1.353 0.925 1.00 0.00 C ATOM 179 C ILE A 11 -5.806 2.071 0.917 1.00 0.00 C ATOM 180 O ILE A 11 -5.901 3.228 1.326 1.00 0.00 O ATOM 181 CB ILE A 11 -3.580 1.677 -0.287 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.337 0.785 -0.320 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.219 3.163 -0.322 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.350 1.178 0.781 1.00 0.00 C ATOM 0 H ILE A 11 -4.486 -0.602 0.170 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.905 1.717 1.793 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.154 1.464 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.630 -0.258 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.853 0.866 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.597 3.366 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.131 3.758 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.672 3.426 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.476 0.528 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.040 2.213 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.830 1.073 1.754 1.00 0.00 H new ATOM 196 N GLY A 12 -6.818 1.356 0.447 1.00 0.00 N ATOM 197 CA GLY A 12 -8.159 1.911 0.380 1.00 0.00 C ATOM 198 C GLY A 12 -8.786 1.999 1.773 1.00 0.00 C ATOM 199 O GLY A 12 -9.733 2.755 1.985 1.00 0.00 O ATOM 0 H GLY A 12 -6.736 0.397 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.124 2.903 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.782 1.290 -0.264 1.00 0.00 H new ATOM 203 N GLN A 13 -8.232 1.216 2.687 1.00 0.00 N ATOM 204 CA GLN A 13 -8.725 1.196 4.054 1.00 0.00 C ATOM 205 C GLN A 13 -7.686 1.801 5.001 1.00 0.00 C ATOM 206 O GLN A 13 -7.965 2.783 5.688 1.00 0.00 O ATOM 207 CB GLN A 13 -9.096 -0.225 4.483 1.00 0.00 C ATOM 208 CG GLN A 13 -10.610 -0.372 4.640 1.00 0.00 C ATOM 209 CD GLN A 13 -11.135 0.527 5.761 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.521 1.665 5.550 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.129 -0.046 6.962 1.00 0.00 N ATOM 0 H GLN A 13 -7.446 0.591 2.508 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.630 1.802 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.732 -0.939 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.604 -0.464 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.103 -0.115 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.858 -1.411 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.792 -1.003 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.461 0.472 7.776 1.00 0.00 H new ATOM 220 N GLN A 14 -6.511 1.190 5.007 1.00 0.00 N ATOM 221 CA GLN A 14 -5.430 1.656 5.859 1.00 0.00 C ATOM 222 C GLN A 14 -5.386 3.185 5.872 1.00 0.00 C ATOM 223 O GLN A 14 -5.619 3.807 6.907 1.00 0.00 O ATOM 224 CB GLN A 14 -4.088 1.073 5.410 1.00 0.00 C ATOM 225 CG GLN A 14 -4.013 -0.425 5.712 1.00 0.00 C ATOM 226 CD GLN A 14 -4.415 -0.713 7.160 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.385 -0.852 7.990 1.00 0.00 O flip ATOM 228 NE2 GLN A 14 -5.583 -0.804 7.501 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.283 0.376 4.436 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.619 1.309 6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.954 1.239 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.274 1.591 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.669 -0.970 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.000 -0.785 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.326 -0.686 6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.816 -0.998 8.475 1.00 0.00 H new ATOM 237 N LEU A 15 -5.086 3.747 4.710 1.00 0.00 N ATOM 238 CA LEU A 15 -5.008 5.192 4.576 1.00 0.00 C ATOM 239 C LEU A 15 -6.344 5.811 4.992 1.00 0.00 C ATOM 240 O LEU A 15 -6.384 6.939 5.480 1.00 0.00 O ATOM 241 CB LEU A 15 -4.568 5.575 3.161 1.00 0.00 C ATOM 242 CG LEU A 15 -3.346 4.833 2.615 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.516 5.739 1.704 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.510 4.242 3.752 1.00 0.00 C ATOM 0 H LEU A 15 -4.894 3.228 3.853 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.247 5.596 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.404 5.405 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.357 6.644 3.144 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.697 3.999 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.654 5.187 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.128 6.069 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.174 6.607 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.648 3.720 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.168 5.044 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.118 3.541 4.324 1.00 0.00 H new ATOM 256 N GLY A 16 -7.405 5.044 4.785 1.00 0.00 N ATOM 257 CA GLY A 16 -8.739 5.504 5.134 1.00 0.00 C ATOM 258 C GLY A 16 -9.373 6.276 3.975 1.00 0.00 C ATOM 259 O GLY A 16 -9.316 7.505 3.939 1.00 0.00 O ATOM 0 H GLY A 16 -7.368 4.108 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.366 4.651 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.688 6.142 6.016 1.00 0.00 H new ATOM 263 N VAL A 17 -9.961 5.525 3.056 1.00 0.00 N ATOM 264 CA VAL A 17 -10.605 6.124 1.900 1.00 0.00 C ATOM 265 C VAL A 17 -11.719 5.200 1.405 1.00 0.00 C ATOM 266 O VAL A 17 -12.071 4.231 2.077 1.00 0.00 O ATOM 267 CB VAL A 17 -9.563 6.434 0.823 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.530 7.440 1.333 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.885 5.153 0.332 1.00 0.00 C ATOM 0 H VAL A 17 -10.005 4.506 3.089 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.067 7.074 2.170 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.080 6.885 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.801 7.643 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.031 8.367 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.020 7.028 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.149 5.401 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.388 4.661 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.635 4.483 -0.089 1.00 0.00 H new ATOM 279 N LYS A 18 -12.244 5.531 0.235 1.00 0.00 N ATOM 280 CA LYS A 18 -13.311 4.742 -0.357 1.00 0.00 C ATOM 281 C LYS A 18 -12.703 3.607 -1.182 1.00 0.00 C ATOM 282 O LYS A 18 -11.484 3.528 -1.334 1.00 0.00 O ATOM 283 CB LYS A 18 -14.262 5.639 -1.153 1.00 0.00 C ATOM 284 CG LYS A 18 -15.138 6.475 -0.218 1.00 0.00 C ATOM 285 CD LYS A 18 -14.374 7.690 0.310 1.00 0.00 C ATOM 286 CE LYS A 18 -15.335 8.805 0.726 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.892 9.426 1.994 1.00 0.00 N ATOM 0 H LYS A 18 -11.950 6.335 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.920 4.281 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.687 6.298 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.893 5.026 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.031 6.805 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.473 5.861 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.762 7.396 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.695 8.059 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.385 9.561 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.340 8.401 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.556 10.181 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.867 8.705 2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.941 9.829 1.870 1.00 0.00 H new ATOM 300 N GLN A 19 -13.579 2.755 -1.694 1.00 0.00 N ATOM 301 CA GLN A 19 -13.143 1.627 -2.500 1.00 0.00 C ATOM 302 C GLN A 19 -13.483 1.864 -3.972 1.00 0.00 C ATOM 303 O GLN A 19 -14.191 1.066 -4.586 1.00 0.00 O ATOM 304 CB GLN A 19 -13.763 0.322 -1.997 1.00 0.00 C ATOM 305 CG GLN A 19 -15.284 0.337 -2.164 1.00 0.00 C ATOM 306 CD GLN A 19 -15.978 -0.216 -0.917 1.00 0.00 C ATOM 307 OE1 GLN A 19 -15.918 0.351 0.162 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.639 -1.351 -1.125 1.00 0.00 N ATOM 0 H GLN A 19 -14.589 2.823 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.061 1.536 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.342 -0.520 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.510 0.176 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.623 1.356 -2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.564 -0.257 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.649 -1.773 -2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.136 -1.800 -0.356 1.00 0.00 H new ATOM 317 N GLU A 20 -12.962 2.963 -4.497 1.00 0.00 N ATOM 318 CA GLU A 20 -13.202 3.315 -5.887 1.00 0.00 C ATOM 319 C GLU A 20 -12.137 4.298 -6.376 1.00 0.00 C ATOM 320 O GLU A 20 -11.598 4.141 -7.471 1.00 0.00 O ATOM 321 CB GLU A 20 -14.607 3.892 -6.072 1.00 0.00 C ATOM 322 CG GLU A 20 -15.544 2.861 -6.703 1.00 0.00 C ATOM 323 CD GLU A 20 -16.819 2.698 -5.873 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.102 3.534 -5.002 1.00 0.00 O ATOM 325 OE2 GLU A 20 -17.529 1.660 -6.161 1.00 0.00 O ATOM 0 H GLU A 20 -12.375 3.622 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.136 2.408 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.004 4.208 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.559 4.780 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.802 3.171 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.033 1.901 -6.784 1.00 0.00 H new ATOM 333 N GLU A 21 -11.864 5.290 -5.542 1.00 0.00 N ATOM 334 CA GLU A 21 -10.873 6.299 -5.876 1.00 0.00 C ATOM 335 C GLU A 21 -9.470 5.688 -5.864 1.00 0.00 C ATOM 336 O GLU A 21 -8.505 6.333 -6.273 1.00 0.00 O ATOM 337 CB GLU A 21 -10.960 7.491 -4.922 1.00 0.00 C ATOM 338 CG GLU A 21 -12.319 8.185 -5.034 1.00 0.00 C ATOM 339 CD GLU A 21 -12.153 9.657 -5.418 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.598 10.069 -6.499 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.538 10.382 -4.546 1.00 0.00 O ATOM 0 H GLU A 21 -12.312 5.417 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.081 6.666 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.803 7.154 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.165 8.201 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.930 7.677 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.849 8.111 -4.084 1.00 0.00 H new ATOM 349 N VAL A 22 -9.401 4.453 -5.391 1.00 0.00 N ATOM 350 CA VAL A 22 -8.132 3.748 -5.321 1.00 0.00 C ATOM 351 C VAL A 22 -7.707 3.331 -6.730 1.00 0.00 C ATOM 352 O VAL A 22 -8.432 2.610 -7.413 1.00 0.00 O ATOM 353 CB VAL A 22 -8.243 2.567 -4.355 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.142 1.538 -4.620 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.211 3.042 -2.901 1.00 0.00 C ATOM 0 H VAL A 22 -10.203 3.922 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.353 4.401 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.204 2.082 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.243 0.709 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.231 1.165 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.167 2.007 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.292 2.182 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.273 3.563 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.046 3.720 -2.721 1.00 0.00 H new ATOM 365 N THR A 23 -6.532 3.802 -7.123 1.00 0.00 N ATOM 366 CA THR A 23 -6.001 3.487 -8.438 1.00 0.00 C ATOM 367 C THR A 23 -4.677 2.732 -8.312 1.00 0.00 C ATOM 368 O THR A 23 -4.452 2.025 -7.330 1.00 0.00 O ATOM 369 CB THR A 23 -5.884 4.793 -9.226 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.707 5.407 -8.707 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.001 5.783 -8.889 1.00 0.00 C ATOM 0 H THR A 23 -5.933 4.399 -6.553 1.00 0.00 H new ATOM 0 HA THR A 23 -6.668 2.820 -8.984 1.00 0.00 H new ATOM 0 HB THR A 23 -5.903 4.575 -10.294 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.554 6.260 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.870 6.692 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.967 5.335 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.962 6.027 -7.827 1.00 0.00 H new ATOM 379 N ASN A 24 -3.834 2.908 -9.319 1.00 0.00 N ATOM 380 CA ASN A 24 -2.537 2.252 -9.333 1.00 0.00 C ATOM 381 C ASN A 24 -1.465 3.260 -9.754 1.00 0.00 C ATOM 382 O ASN A 24 -0.484 2.894 -10.399 1.00 0.00 O ATOM 383 CB ASN A 24 -2.516 1.094 -10.333 1.00 0.00 C ATOM 384 CG ASN A 24 -3.097 1.524 -11.681 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.181 2.076 -11.772 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.317 1.241 -12.721 1.00 0.00 N ATOM 0 H ASN A 24 -4.024 3.495 -10.131 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.343 1.867 -8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.493 0.744 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.089 0.256 -9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.616 1.488 -13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.420 0.777 -12.575 1.00 0.00 H new ATOM 393 N ASN A 25 -1.690 4.508 -9.371 1.00 0.00 N ATOM 394 CA ASN A 25 -0.755 5.571 -9.700 1.00 0.00 C ATOM 395 C ASN A 25 -1.238 6.881 -9.075 1.00 0.00 C ATOM 396 O ASN A 25 -1.537 7.840 -9.785 1.00 0.00 O ATOM 397 CB ASN A 25 -0.665 5.775 -11.214 1.00 0.00 C ATOM 398 CG ASN A 25 0.523 6.668 -11.577 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.414 7.878 -11.686 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.662 6.006 -11.757 1.00 0.00 N ATOM 0 H ASN A 25 -2.505 4.807 -8.836 1.00 0.00 H new ATOM 0 HA ASN A 25 0.225 5.290 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.563 4.809 -11.709 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.588 6.225 -11.579 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.513 6.512 -12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.685 4.992 -11.650 1.00 0.00 H new ATOM 407 N ALA A 26 -1.300 6.880 -7.751 1.00 0.00 N ATOM 408 CA ALA A 26 -1.742 8.056 -7.022 1.00 0.00 C ATOM 409 C ALA A 26 -0.977 8.149 -5.700 1.00 0.00 C ATOM 410 O ALA A 26 -1.086 7.264 -4.852 1.00 0.00 O ATOM 411 CB ALA A 26 -3.256 7.991 -6.815 1.00 0.00 C ATOM 0 H ALA A 26 -1.051 6.083 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.530 8.961 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.587 8.874 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.755 7.957 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.507 7.096 -6.246 1.00 0.00 H new ATOM 417 N SER A 27 -0.219 9.227 -5.566 1.00 0.00 N ATOM 418 CA SER A 27 0.564 9.447 -4.362 1.00 0.00 C ATOM 419 C SER A 27 -0.365 9.699 -3.172 1.00 0.00 C ATOM 420 O SER A 27 -0.426 10.813 -2.653 1.00 0.00 O ATOM 421 CB SER A 27 1.530 10.619 -4.539 1.00 0.00 C ATOM 422 OG SER A 27 2.324 10.484 -5.714 1.00 0.00 O ATOM 0 H SER A 27 -0.130 9.958 -6.272 1.00 0.00 H new ATOM 0 HA SER A 27 1.155 8.551 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.965 11.550 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.181 10.687 -3.667 1.00 0.00 H new ATOM 0 HG SER A 27 2.926 11.253 -5.792 1.00 0.00 H new ATOM 428 N PHE A 28 -1.064 8.646 -2.775 1.00 0.00 N ATOM 429 CA PHE A 28 -1.987 8.740 -1.656 1.00 0.00 C ATOM 430 C PHE A 28 -1.480 9.733 -0.609 1.00 0.00 C ATOM 431 O PHE A 28 -2.208 10.636 -0.200 1.00 0.00 O ATOM 432 CB PHE A 28 -2.068 7.349 -1.025 1.00 0.00 C ATOM 433 CG PHE A 28 -3.247 6.509 -1.520 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.254 6.029 -2.793 1.00 0.00 C ATOM 435 CD2 PHE A 28 -4.289 6.242 -0.687 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.348 5.250 -3.252 1.00 0.00 C ATOM 437 CE2 PHE A 28 -5.383 5.462 -1.146 1.00 0.00 C ATOM 438 CZ PHE A 28 -5.390 4.983 -2.419 1.00 0.00 C ATOM 0 H PHE A 28 -1.010 7.724 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.960 9.086 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.141 6.813 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.140 7.456 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.427 6.241 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.284 6.623 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.353 4.869 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.210 5.249 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.223 4.391 -2.769 1.00 0.00 H new ATOM 448 N VAL A 29 -0.234 9.533 -0.204 1.00 0.00 N ATOM 449 CA VAL A 29 0.379 10.400 0.787 1.00 0.00 C ATOM 450 C VAL A 29 -0.054 11.845 0.533 1.00 0.00 C ATOM 451 O VAL A 29 -1.038 12.311 1.105 1.00 0.00 O ATOM 452 CB VAL A 29 1.899 10.220 0.772 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.330 9.120 1.744 1.00 0.00 C ATOM 454 CG2 VAL A 29 2.402 9.930 -0.643 1.00 0.00 C ATOM 0 H VAL A 29 0.367 8.783 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 29 0.043 10.131 1.789 1.00 0.00 H new ATOM 0 HB VAL A 29 2.351 11.155 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.414 9.012 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.020 9.385 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.864 8.178 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.485 9.806 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.938 9.016 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.142 10.761 -1.299 1.00 0.00 H new ATOM 464 N GLU A 30 0.702 12.514 -0.325 1.00 0.00 N ATOM 465 CA GLU A 30 0.409 13.897 -0.661 1.00 0.00 C ATOM 466 C GLU A 30 -0.870 13.979 -1.497 1.00 0.00 C ATOM 467 O GLU A 30 -1.808 14.689 -1.135 1.00 0.00 O ATOM 468 CB GLU A 30 1.585 14.544 -1.394 1.00 0.00 C ATOM 469 CG GLU A 30 1.293 16.013 -1.710 1.00 0.00 C ATOM 470 CD GLU A 30 0.687 16.162 -3.107 1.00 0.00 C ATOM 471 OE1 GLU A 30 1.223 15.609 -4.078 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.381 16.884 -3.163 1.00 0.00 O ATOM 0 H GLU A 30 1.517 12.124 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 30 0.252 14.451 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.484 14.472 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.785 14.002 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.607 16.419 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.214 16.593 -1.645 1.00 0.00 H new ATOM 480 N ASP A 31 -0.867 13.244 -2.599 1.00 0.00 N ATOM 481 CA ASP A 31 -2.016 13.225 -3.489 1.00 0.00 C ATOM 482 C ASP A 31 -3.300 13.268 -2.659 1.00 0.00 C ATOM 483 O ASP A 31 -4.050 14.241 -2.718 1.00 0.00 O ATOM 484 CB ASP A 31 -2.039 11.948 -4.331 1.00 0.00 C ATOM 485 CG ASP A 31 -2.966 11.992 -5.547 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.083 12.527 -5.480 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.495 11.440 -6.613 1.00 0.00 O ATOM 0 H ASP A 31 -0.087 12.657 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.946 14.090 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.026 11.738 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.339 11.116 -3.694 1.00 0.00 H new ATOM 493 N LEU A 32 -3.514 12.200 -1.904 1.00 0.00 N ATOM 494 CA LEU A 32 -4.695 12.103 -1.063 1.00 0.00 C ATOM 495 C LEU A 32 -4.396 12.728 0.301 1.00 0.00 C ATOM 496 O LEU A 32 -4.665 13.908 0.520 1.00 0.00 O ATOM 497 CB LEU A 32 -5.178 10.654 -0.983 1.00 0.00 C ATOM 498 CG LEU A 32 -6.048 10.172 -2.146 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.295 9.160 -3.012 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.380 9.614 -1.640 1.00 0.00 C ATOM 0 H LEU A 32 -2.890 11.395 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.521 12.666 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.306 10.004 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.741 10.530 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.277 11.029 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.936 8.834 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.397 9.625 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.015 8.299 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.979 9.279 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.192 8.773 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.919 10.392 -1.100 1.00 0.00 H new ATOM 512 N GLY A 33 -3.844 11.908 1.184 1.00 0.00 N ATOM 513 CA GLY A 33 -3.506 12.365 2.521 1.00 0.00 C ATOM 514 C GLY A 33 -3.205 11.183 3.445 1.00 0.00 C ATOM 515 O GLY A 33 -4.118 10.584 4.011 1.00 0.00 O ATOM 0 H GLY A 33 -3.623 10.930 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.640 13.025 2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.331 12.949 2.929 1.00 0.00 H new ATOM 519 N ALA A 34 -1.921 10.883 3.569 1.00 0.00 N ATOM 520 CA ALA A 34 -1.487 9.783 4.414 1.00 0.00 C ATOM 521 C ALA A 34 -0.217 10.191 5.163 1.00 0.00 C ATOM 522 O ALA A 34 0.884 9.784 4.792 1.00 0.00 O ATOM 523 CB ALA A 34 -1.284 8.531 3.559 1.00 0.00 C ATOM 0 H ALA A 34 -1.166 11.383 3.098 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.247 9.548 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.959 7.706 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.223 8.266 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.526 8.727 2.801 1.00 0.00 H new ATOM 529 N ASP A 35 -0.411 10.990 6.202 1.00 0.00 N ATOM 530 CA ASP A 35 0.706 11.457 7.005 1.00 0.00 C ATOM 531 C ASP A 35 0.487 11.047 8.463 1.00 0.00 C ATOM 532 O ASP A 35 0.931 11.737 9.379 1.00 0.00 O ATOM 533 CB ASP A 35 0.821 12.982 6.955 1.00 0.00 C ATOM 534 CG ASP A 35 2.191 13.513 6.528 1.00 0.00 C ATOM 535 OD1 ASP A 35 2.830 12.970 5.615 1.00 0.00 O ATOM 536 OD2 ASP A 35 2.604 14.544 7.184 1.00 0.00 O ATOM 0 H ASP A 35 -1.325 11.326 6.506 1.00 0.00 H new ATOM 0 HA ASP A 35 1.618 11.013 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.068 13.366 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.584 13.382 7.941 1.00 0.00 H new ATOM 542 N SER A 36 -0.199 9.926 8.633 1.00 0.00 N ATOM 543 CA SER A 36 -0.483 9.416 9.963 1.00 0.00 C ATOM 544 C SER A 36 -0.713 7.905 9.907 1.00 0.00 C ATOM 545 O SER A 36 -0.087 7.150 10.649 1.00 0.00 O ATOM 546 CB SER A 36 -1.699 10.116 10.573 1.00 0.00 C ATOM 547 OG SER A 36 -1.327 11.250 11.352 1.00 0.00 O ATOM 0 H SER A 36 -0.567 9.357 7.871 1.00 0.00 H new ATOM 0 HA SER A 36 0.378 9.622 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.374 10.429 9.777 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.248 9.411 11.198 1.00 0.00 H new ATOM 0 HG SER A 36 -0.545 11.682 10.948 1.00 0.00 H new ATOM 553 N LEU A 37 -1.613 7.508 9.019 1.00 0.00 N ATOM 554 CA LEU A 37 -1.934 6.101 8.856 1.00 0.00 C ATOM 555 C LEU A 37 -1.527 5.649 7.452 1.00 0.00 C ATOM 556 O LEU A 37 -2.281 4.947 6.779 1.00 0.00 O ATOM 557 CB LEU A 37 -3.407 5.846 9.182 1.00 0.00 C ATOM 558 CG LEU A 37 -4.318 7.075 9.175 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.786 6.668 9.031 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.082 7.939 10.415 1.00 0.00 C ATOM 0 H LEU A 37 -2.130 8.137 8.405 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.366 5.496 9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.798 5.125 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.466 5.381 10.166 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.065 7.683 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.412 7.560 9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.923 6.126 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.070 6.028 9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.742 8.806 10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.291 7.354 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.045 8.273 10.434 1.00 0.00 H new ATOM 572 N ASP A 38 -0.337 6.070 7.051 1.00 0.00 N ATOM 573 CA ASP A 38 0.179 5.717 5.739 1.00 0.00 C ATOM 574 C ASP A 38 0.934 4.390 5.832 1.00 0.00 C ATOM 575 O ASP A 38 0.364 3.329 5.584 1.00 0.00 O ATOM 576 CB ASP A 38 1.152 6.780 5.226 1.00 0.00 C ATOM 577 CG ASP A 38 2.134 6.296 4.157 1.00 0.00 C ATOM 578 OD1 ASP A 38 3.355 6.284 4.370 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.591 5.914 3.051 1.00 0.00 O ATOM 0 H ASP A 38 0.285 6.652 7.611 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.666 5.640 5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.577 7.612 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.721 7.169 6.071 1.00 0.00 H new ATOM 585 N THR A 39 2.205 4.493 6.190 1.00 0.00 N ATOM 586 CA THR A 39 3.045 3.314 6.319 1.00 0.00 C ATOM 587 C THR A 39 2.758 2.598 7.641 1.00 0.00 C ATOM 588 O THR A 39 2.546 1.386 7.661 1.00 0.00 O ATOM 589 CB THR A 39 4.503 3.753 6.170 1.00 0.00 C ATOM 590 OG1 THR A 39 5.203 2.542 5.897 1.00 0.00 O ATOM 591 CG2 THR A 39 5.105 4.243 7.488 1.00 0.00 C ATOM 0 H THR A 39 2.674 5.375 6.395 1.00 0.00 H new ATOM 0 HA THR A 39 2.829 2.586 5.537 1.00 0.00 H new ATOM 0 HB THR A 39 4.569 4.546 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.157 2.734 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.141 4.542 7.326 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.534 5.096 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.070 3.440 8.225 1.00 0.00 H new ATOM 599 N VAL A 40 2.760 3.377 8.712 1.00 0.00 N ATOM 600 CA VAL A 40 2.503 2.833 10.034 1.00 0.00 C ATOM 601 C VAL A 40 1.404 1.772 9.939 1.00 0.00 C ATOM 602 O VAL A 40 1.389 0.818 10.716 1.00 0.00 O ATOM 603 CB VAL A 40 2.162 3.962 11.008 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.738 3.404 12.368 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.336 4.932 11.156 1.00 0.00 C ATOM 0 H VAL A 40 2.936 4.382 8.691 1.00 0.00 H new ATOM 0 HA VAL A 40 3.395 2.343 10.426 1.00 0.00 H new ATOM 0 HB VAL A 40 1.319 4.516 10.596 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.501 4.228 13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.858 2.772 12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.552 2.814 12.789 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.067 5.725 11.854 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.206 4.395 11.534 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.572 5.368 10.185 1.00 0.00 H new ATOM 615 N GLU A 41 0.512 1.975 8.982 1.00 0.00 N ATOM 616 CA GLU A 41 -0.588 1.048 8.775 1.00 0.00 C ATOM 617 C GLU A 41 -0.288 0.123 7.594 1.00 0.00 C ATOM 618 O GLU A 41 -0.200 -1.092 7.760 1.00 0.00 O ATOM 619 CB GLU A 41 -1.905 1.798 8.564 1.00 0.00 C ATOM 620 CG GLU A 41 -2.677 1.931 9.878 1.00 0.00 C ATOM 621 CD GLU A 41 -1.766 2.427 11.002 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.525 3.638 11.116 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.302 1.504 11.776 1.00 0.00 O ATOM 0 H GLU A 41 0.528 2.768 8.341 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.696 0.437 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.702 2.788 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.515 1.270 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.508 2.624 9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.105 0.967 10.151 1.00 0.00 H new ATOM 631 N LEU A 42 -0.140 0.735 6.428 1.00 0.00 N ATOM 632 CA LEU A 42 0.148 -0.019 5.219 1.00 0.00 C ATOM 633 C LEU A 42 1.146 -1.132 5.543 1.00 0.00 C ATOM 634 O LEU A 42 0.956 -2.278 5.138 1.00 0.00 O ATOM 635 CB LEU A 42 0.613 0.918 4.102 1.00 0.00 C ATOM 636 CG LEU A 42 1.258 0.245 2.889 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.462 1.247 1.750 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.563 -0.453 3.278 1.00 0.00 C ATOM 0 H LEU A 42 -0.214 1.744 6.295 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.756 -0.500 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.245 1.496 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.327 1.626 4.522 1.00 0.00 H new ATOM 0 HG LEU A 42 0.578 -0.524 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.922 0.743 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.498 1.658 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.111 2.055 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.001 -0.923 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.261 0.280 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.358 -1.214 4.031 1.00 0.00 H new ATOM 650 N VAL A 43 2.188 -0.756 6.271 1.00 0.00 N ATOM 651 CA VAL A 43 3.216 -1.709 6.654 1.00 0.00 C ATOM 652 C VAL A 43 2.555 -2.957 7.241 1.00 0.00 C ATOM 653 O VAL A 43 2.642 -4.040 6.664 1.00 0.00 O ATOM 654 CB VAL A 43 4.208 -1.050 7.614 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.334 -2.017 7.988 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.771 0.243 7.019 1.00 0.00 C ATOM 0 H VAL A 43 2.342 0.195 6.605 1.00 0.00 H new ATOM 0 HA VAL A 43 3.789 -2.025 5.782 1.00 0.00 H new ATOM 0 HB VAL A 43 3.670 -0.793 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.025 -1.524 8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.912 -2.897 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.868 -2.319 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.473 0.691 7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.285 0.020 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.956 0.940 6.827 1.00 0.00 H new ATOM 666 N MET A 44 1.909 -2.765 8.382 1.00 0.00 N ATOM 667 CA MET A 44 1.234 -3.862 9.054 1.00 0.00 C ATOM 668 C MET A 44 0.425 -4.699 8.061 1.00 0.00 C ATOM 669 O MET A 44 0.587 -5.916 7.994 1.00 0.00 O ATOM 670 CB MET A 44 0.300 -3.304 10.131 1.00 0.00 C ATOM 671 CG MET A 44 1.059 -2.390 11.094 1.00 0.00 C ATOM 672 SD MET A 44 0.255 -2.379 12.688 1.00 0.00 S ATOM 673 CE MET A 44 1.529 -3.136 13.683 1.00 0.00 C ATOM 0 H MET A 44 1.839 -1.866 8.858 1.00 0.00 H new ATOM 0 HA MET A 44 1.988 -4.503 9.511 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.512 -2.749 9.661 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.154 -4.126 10.685 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.088 -2.733 11.199 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.100 -1.378 10.691 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.190 -3.207 14.716 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.743 -4.135 13.302 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.433 -2.529 13.639 1.00 0.00 H new ATOM 683 N ALA A 45 -0.428 -4.013 7.314 1.00 0.00 N ATOM 684 CA ALA A 45 -1.262 -4.678 6.328 1.00 0.00 C ATOM 685 C ALA A 45 -0.371 -5.435 5.340 1.00 0.00 C ATOM 686 O ALA A 45 -0.354 -6.664 5.331 1.00 0.00 O ATOM 687 CB ALA A 45 -2.155 -3.646 5.635 1.00 0.00 C ATOM 0 H ALA A 45 -0.559 -3.003 7.372 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.916 -5.406 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.781 -4.145 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.788 -3.157 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.533 -2.900 5.140 1.00 0.00 H new ATOM 693 N LEU A 46 0.347 -4.668 4.533 1.00 0.00 N ATOM 694 CA LEU A 46 1.238 -5.251 3.544 1.00 0.00 C ATOM 695 C LEU A 46 2.123 -6.301 4.217 1.00 0.00 C ATOM 696 O LEU A 46 2.641 -7.199 3.555 1.00 0.00 O ATOM 697 CB LEU A 46 2.024 -4.156 2.820 1.00 0.00 C ATOM 698 CG LEU A 46 1.216 -3.260 1.880 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.130 -2.301 1.115 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.346 -4.095 0.938 1.00 0.00 C ATOM 0 H LEU A 46 0.330 -3.648 4.544 1.00 0.00 H new ATOM 0 HA LEU A 46 0.666 -5.765 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.503 -3.525 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.820 -4.628 2.244 1.00 0.00 H new ATOM 0 HG LEU A 46 0.544 -2.651 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.530 -1.676 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.668 -1.670 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.844 -2.873 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.218 -3.433 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.981 -4.747 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.346 -4.701 1.523 1.00 0.00 H new ATOM 712 N GLU A 47 2.270 -6.154 5.526 1.00 0.00 N ATOM 713 CA GLU A 47 3.084 -7.078 6.296 1.00 0.00 C ATOM 714 C GLU A 47 2.310 -8.370 6.565 1.00 0.00 C ATOM 715 O GLU A 47 2.810 -9.464 6.304 1.00 0.00 O ATOM 716 CB GLU A 47 3.552 -6.438 7.605 1.00 0.00 C ATOM 717 CG GLU A 47 4.828 -5.621 7.389 1.00 0.00 C ATOM 718 CD GLU A 47 5.992 -6.200 8.195 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.264 -5.737 9.313 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.625 -7.167 7.621 1.00 0.00 O ATOM 0 H GLU A 47 1.839 -5.408 6.072 1.00 0.00 H new ATOM 0 HA GLU A 47 3.971 -7.323 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.766 -5.795 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.734 -7.214 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.083 -5.612 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.656 -4.586 7.684 1.00 0.00 H new ATOM 728 N GLU A 48 1.102 -8.202 7.082 1.00 0.00 N ATOM 729 CA GLU A 48 0.254 -9.341 7.389 1.00 0.00 C ATOM 730 C GLU A 48 -0.052 -10.133 6.116 1.00 0.00 C ATOM 731 O GLU A 48 -0.158 -11.358 6.152 1.00 0.00 O ATOM 732 CB GLU A 48 -1.036 -8.894 8.080 1.00 0.00 C ATOM 733 CG GLU A 48 -1.102 -9.424 9.513 1.00 0.00 C ATOM 734 CD GLU A 48 -2.110 -10.569 9.629 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.332 -11.301 8.653 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.672 -10.687 10.785 1.00 0.00 O ATOM 0 H GLU A 48 0.690 -7.294 7.296 1.00 0.00 H new ATOM 0 HA GLU A 48 0.790 -9.993 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.090 -7.805 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.898 -9.252 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.116 -9.770 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.383 -8.617 10.190 1.00 0.00 H new ATOM 744 N GLU A 49 -0.186 -9.401 5.019 1.00 0.00 N ATOM 745 CA GLU A 49 -0.477 -10.019 3.737 1.00 0.00 C ATOM 746 C GLU A 49 0.604 -11.042 3.383 1.00 0.00 C ATOM 747 O GLU A 49 0.343 -12.002 2.659 1.00 0.00 O ATOM 748 CB GLU A 49 -0.615 -8.964 2.638 1.00 0.00 C ATOM 749 CG GLU A 49 -1.037 -9.604 1.314 1.00 0.00 C ATOM 750 CD GLU A 49 -2.548 -9.488 1.106 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.008 -8.585 0.391 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.252 -10.379 1.717 1.00 0.00 O ATOM 0 H GLU A 49 -0.098 -8.385 4.992 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.431 -10.540 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.351 -8.217 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.333 -8.443 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.515 -9.120 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.744 -10.654 1.304 1.00 0.00 H new ATOM 760 N PHE A 50 1.796 -10.802 3.910 1.00 0.00 N ATOM 761 CA PHE A 50 2.918 -11.690 3.658 1.00 0.00 C ATOM 762 C PHE A 50 3.959 -11.589 4.775 1.00 0.00 C ATOM 763 O PHE A 50 3.975 -12.411 5.690 1.00 0.00 O ATOM 764 CB PHE A 50 3.556 -11.243 2.341 1.00 0.00 C ATOM 765 CG PHE A 50 3.141 -12.083 1.132 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.814 -13.227 0.835 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.099 -11.685 0.353 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.429 -14.007 -0.287 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.714 -12.465 -0.769 1.00 0.00 C ATOM 770 CZ PHE A 50 2.387 -13.609 -1.066 1.00 0.00 C ATOM 0 H PHE A 50 2.009 -10.005 4.510 1.00 0.00 H new ATOM 0 HA PHE A 50 2.572 -12.723 3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.291 -10.202 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.641 -11.282 2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.642 -13.542 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.565 -10.776 0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.963 -14.916 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.886 -12.150 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.094 -14.201 -1.920 1.00 0.00 H new ATOM 780 N ASP A 51 4.802 -10.573 4.665 1.00 0.00 N ATOM 781 CA ASP A 51 5.843 -10.354 5.654 1.00 0.00 C ATOM 782 C ASP A 51 6.936 -9.469 5.051 1.00 0.00 C ATOM 783 O ASP A 51 7.811 -9.957 4.337 1.00 0.00 O ATOM 784 CB ASP A 51 6.486 -11.675 6.079 1.00 0.00 C ATOM 785 CG ASP A 51 6.186 -12.108 7.516 1.00 0.00 C ATOM 786 OD1 ASP A 51 7.094 -12.479 8.274 1.00 0.00 O ATOM 787 OD2 ASP A 51 4.942 -12.052 7.853 1.00 0.00 O ATOM 0 H ASP A 51 4.785 -9.892 3.906 1.00 0.00 H new ATOM 0 HA ASP A 51 5.387 -9.879 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.150 -12.460 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.566 -11.591 5.959 1.00 0.00 H new ATOM 793 N THR A 52 6.850 -8.183 5.359 1.00 0.00 N ATOM 794 CA THR A 52 7.820 -7.226 4.856 1.00 0.00 C ATOM 795 C THR A 52 7.621 -5.864 5.524 1.00 0.00 C ATOM 796 O THR A 52 6.800 -5.064 5.077 1.00 0.00 O ATOM 797 CB THR A 52 7.694 -7.181 3.332 1.00 0.00 C ATOM 798 OG1 THR A 52 8.805 -6.393 2.915 1.00 0.00 O ATOM 799 CG2 THR A 52 6.475 -6.380 2.870 1.00 0.00 C ATOM 0 H THR A 52 6.123 -7.782 5.951 1.00 0.00 H new ATOM 0 HA THR A 52 8.838 -7.528 5.103 1.00 0.00 H new ATOM 0 HB THR A 52 7.630 -8.197 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.501 -5.486 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.432 -6.379 1.781 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.568 -6.835 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.555 -5.355 3.231 1.00 0.00 H new ATOM 807 N GLU A 53 8.386 -5.642 6.582 1.00 0.00 N ATOM 808 CA GLU A 53 8.304 -4.390 7.315 1.00 0.00 C ATOM 809 C GLU A 53 8.757 -3.226 6.431 1.00 0.00 C ATOM 810 O GLU A 53 9.851 -2.694 6.612 1.00 0.00 O ATOM 811 CB GLU A 53 9.128 -4.454 8.603 1.00 0.00 C ATOM 812 CG GLU A 53 10.520 -5.031 8.335 1.00 0.00 C ATOM 813 CD GLU A 53 10.731 -6.333 9.112 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.049 -7.333 8.844 1.00 0.00 O ATOM 815 OE2 GLU A 53 11.644 -6.282 10.022 1.00 0.00 O ATOM 0 H GLU A 53 9.066 -6.308 6.950 1.00 0.00 H new ATOM 0 HA GLU A 53 7.264 -4.223 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.220 -3.455 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.611 -5.069 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.642 -5.216 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.280 -4.305 8.622 1.00 0.00 H new ATOM 823 N ILE A 54 7.893 -2.865 5.494 1.00 0.00 N ATOM 824 CA ILE A 54 8.190 -1.775 4.582 1.00 0.00 C ATOM 825 C ILE A 54 8.685 -0.567 5.381 1.00 0.00 C ATOM 826 O ILE A 54 7.896 0.116 6.033 1.00 0.00 O ATOM 827 CB ILE A 54 6.980 -1.472 3.696 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.169 -0.154 2.941 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.686 -1.483 4.513 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.614 0.000 2.462 1.00 0.00 C ATOM 0 H ILE A 54 6.986 -3.309 5.347 1.00 0.00 H new ATOM 0 HA ILE A 54 8.992 -2.057 3.900 1.00 0.00 H new ATOM 0 HB ILE A 54 6.897 -2.262 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.493 -0.120 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.906 0.682 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.841 -1.265 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.550 -2.465 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.744 -0.727 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.722 0.944 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.285 -0.010 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.866 -0.824 1.795 1.00 0.00 H new ATOM 842 N PRO A 55 10.023 -0.335 5.303 1.00 0.00 N ATOM 843 CA PRO A 55 10.632 0.778 6.011 1.00 0.00 C ATOM 844 C PRO A 55 10.326 2.105 5.314 1.00 0.00 C ATOM 845 O PRO A 55 10.247 2.162 4.088 1.00 0.00 O ATOM 846 CB PRO A 55 12.117 0.455 6.048 1.00 0.00 C ATOM 847 CG PRO A 55 12.345 -0.585 4.963 1.00 0.00 C ATOM 848 CD PRO A 55 10.987 -1.123 4.541 1.00 0.00 C ATOM 0 HA PRO A 55 10.239 0.900 7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.715 1.348 5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.409 0.070 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.861 -0.142 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.977 -1.392 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.832 -1.009 3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.895 -2.186 4.765 1.00 0.00 H new ATOM 856 N ASP A 56 10.162 3.139 6.126 1.00 0.00 N ATOM 857 CA ASP A 56 9.866 4.462 5.602 1.00 0.00 C ATOM 858 C ASP A 56 10.809 4.766 4.437 1.00 0.00 C ATOM 859 O ASP A 56 10.385 5.305 3.415 1.00 0.00 O ATOM 860 CB ASP A 56 10.073 5.536 6.671 1.00 0.00 C ATOM 861 CG ASP A 56 8.797 6.242 7.135 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.355 6.074 8.281 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.243 7.002 6.252 1.00 0.00 O ATOM 0 H ASP A 56 10.228 3.088 7.143 1.00 0.00 H new ATOM 0 HA ASP A 56 8.825 4.472 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.552 5.078 7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.764 6.285 6.283 1.00 0.00 H new ATOM 869 N GLU A 57 12.070 4.409 4.628 1.00 0.00 N ATOM 870 CA GLU A 57 13.077 4.637 3.606 1.00 0.00 C ATOM 871 C GLU A 57 12.591 4.107 2.255 1.00 0.00 C ATOM 872 O GLU A 57 12.845 4.717 1.217 1.00 0.00 O ATOM 873 CB GLU A 57 14.411 3.999 3.997 1.00 0.00 C ATOM 874 CG GLU A 57 15.551 4.534 3.127 1.00 0.00 C ATOM 875 CD GLU A 57 16.094 5.851 3.684 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.318 6.682 4.179 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.373 5.996 3.590 1.00 0.00 O ATOM 0 H GLU A 57 12.418 3.963 5.477 1.00 0.00 H new ATOM 0 HA GLU A 57 13.239 5.711 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.623 4.204 5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.345 2.916 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.353 3.797 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.195 4.685 2.108 1.00 0.00 H new ATOM 885 N GLU A 58 11.901 2.978 2.312 1.00 0.00 N ATOM 886 CA GLU A 58 11.377 2.359 1.107 1.00 0.00 C ATOM 887 C GLU A 58 9.899 2.710 0.929 1.00 0.00 C ATOM 888 O GLU A 58 9.342 2.538 -0.155 1.00 0.00 O ATOM 889 CB GLU A 58 11.581 0.843 1.135 1.00 0.00 C ATOM 890 CG GLU A 58 12.607 0.407 0.087 1.00 0.00 C ATOM 891 CD GLU A 58 13.526 -0.684 0.639 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.633 -0.383 1.110 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.053 -1.882 0.567 1.00 0.00 O ATOM 0 H GLU A 58 11.692 2.475 3.175 1.00 0.00 H new ATOM 0 HA GLU A 58 11.929 2.751 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.915 0.536 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.631 0.341 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.092 0.039 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.202 1.266 -0.224 1.00 0.00 H new ATOM 901 N ALA A 59 9.304 3.195 2.009 1.00 0.00 N ATOM 902 CA ALA A 59 7.901 3.571 1.986 1.00 0.00 C ATOM 903 C ALA A 59 7.734 4.850 1.163 1.00 0.00 C ATOM 904 O ALA A 59 6.685 5.073 0.561 1.00 0.00 O ATOM 905 CB ALA A 59 7.391 3.730 3.420 1.00 0.00 C ATOM 0 H ALA A 59 9.768 3.336 2.906 1.00 0.00 H new ATOM 0 HA ALA A 59 7.303 2.793 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.338 4.012 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.505 2.786 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.966 4.505 3.927 1.00 0.00 H new ATOM 911 N GLU A 60 8.785 5.657 1.162 1.00 0.00 N ATOM 912 CA GLU A 60 8.768 6.907 0.422 1.00 0.00 C ATOM 913 C GLU A 60 8.748 6.634 -1.083 1.00 0.00 C ATOM 914 O GLU A 60 8.577 7.553 -1.882 1.00 0.00 O ATOM 915 CB GLU A 60 9.961 7.786 0.804 1.00 0.00 C ATOM 916 CG GLU A 60 9.512 9.215 1.117 1.00 0.00 C ATOM 917 CD GLU A 60 10.688 10.065 1.602 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.803 10.334 2.807 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.501 10.450 0.677 1.00 0.00 O ATOM 0 H GLU A 60 9.654 5.469 1.662 1.00 0.00 H new ATOM 0 HA GLU A 60 7.860 7.449 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.467 7.362 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.684 7.799 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.075 9.666 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.733 9.197 1.879 1.00 0.00 H new ATOM 927 N LYS A 61 8.925 5.366 -1.424 1.00 0.00 N ATOM 928 CA LYS A 61 8.929 4.959 -2.819 1.00 0.00 C ATOM 929 C LYS A 61 7.572 4.346 -3.171 1.00 0.00 C ATOM 930 O LYS A 61 7.251 4.172 -4.346 1.00 0.00 O ATOM 931 CB LYS A 61 10.114 4.035 -3.105 1.00 0.00 C ATOM 932 CG LYS A 61 9.686 2.844 -3.965 1.00 0.00 C ATOM 933 CD LYS A 61 10.894 1.996 -4.367 1.00 0.00 C ATOM 934 CE LYS A 61 10.646 1.285 -5.699 1.00 0.00 C ATOM 935 NZ LYS A 61 11.750 1.558 -6.645 1.00 0.00 N ATOM 0 H LYS A 61 9.067 4.607 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 61 9.066 5.824 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.900 4.593 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.535 3.677 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.974 2.230 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.174 3.201 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.777 2.630 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.100 1.259 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.558 0.211 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.701 1.620 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.566 1.068 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.816 2.582 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.645 1.216 -6.241 1.00 0.00 H new ATOM 948 N ILE A 62 6.811 4.035 -2.131 1.00 0.00 N ATOM 949 CA ILE A 62 5.497 3.445 -2.316 1.00 0.00 C ATOM 950 C ILE A 62 4.425 4.498 -2.030 1.00 0.00 C ATOM 951 O ILE A 62 3.264 4.162 -1.800 1.00 0.00 O ATOM 952 CB ILE A 62 5.355 2.177 -1.471 1.00 0.00 C ATOM 953 CG1 ILE A 62 4.942 2.518 -0.037 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.635 1.342 -1.516 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.726 1.248 0.788 1.00 0.00 C ATOM 0 H ILE A 62 7.080 4.181 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 62 5.364 3.127 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 62 4.559 1.568 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.711 3.133 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.026 3.108 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.507 0.447 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.845 1.054 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.467 1.930 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.433 1.519 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.940 0.647 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.651 0.672 0.819 1.00 0.00 H new ATOM 967 N THR A 63 4.851 5.752 -2.054 1.00 0.00 N ATOM 968 CA THR A 63 3.943 6.857 -1.801 1.00 0.00 C ATOM 969 C THR A 63 2.557 6.550 -2.371 1.00 0.00 C ATOM 970 O THR A 63 1.543 6.947 -1.798 1.00 0.00 O ATOM 971 CB THR A 63 4.570 8.127 -2.378 1.00 0.00 C ATOM 972 OG1 THR A 63 4.750 7.828 -3.760 1.00 0.00 O ATOM 973 CG2 THR A 63 5.989 8.367 -1.861 1.00 0.00 C ATOM 0 H THR A 63 5.814 6.027 -2.245 1.00 0.00 H new ATOM 0 HA THR A 63 3.794 7.009 -0.732 1.00 0.00 H new ATOM 0 HB THR A 63 3.944 8.985 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.151 8.600 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.387 9.281 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.969 8.466 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.624 7.525 -2.136 1.00 0.00 H new ATOM 981 N THR A 64 2.557 5.845 -3.493 1.00 0.00 N ATOM 982 CA THR A 64 1.313 5.480 -4.148 1.00 0.00 C ATOM 983 C THR A 64 0.822 4.122 -3.641 1.00 0.00 C ATOM 984 O THR A 64 0.989 3.797 -2.467 1.00 0.00 O ATOM 985 CB THR A 64 1.545 5.516 -5.660 1.00 0.00 C ATOM 986 OG1 THR A 64 2.489 4.474 -5.891 1.00 0.00 O ATOM 987 CG2 THR A 64 2.273 6.784 -6.110 1.00 0.00 C ATOM 0 H THR A 64 3.400 5.517 -3.965 1.00 0.00 H new ATOM 0 HA THR A 64 0.519 6.188 -3.910 1.00 0.00 H new ATOM 0 HB THR A 64 0.588 5.444 -6.176 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.695 4.426 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.412 6.759 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.681 7.659 -5.840 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.245 6.839 -5.620 1.00 0.00 H new ATOM 995 N VAL A 65 0.226 3.366 -4.552 1.00 0.00 N ATOM 996 CA VAL A 65 -0.290 2.051 -4.212 1.00 0.00 C ATOM 997 C VAL A 65 0.395 0.998 -5.085 1.00 0.00 C ATOM 998 O VAL A 65 0.807 -0.050 -4.591 1.00 0.00 O ATOM 999 CB VAL A 65 -1.814 2.037 -4.343 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.415 0.824 -3.630 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.422 3.339 -3.817 1.00 0.00 C ATOM 0 H VAL A 65 0.089 3.639 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.064 1.809 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.058 1.957 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.499 0.839 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.018 -0.091 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.156 0.859 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.506 3.303 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.163 3.463 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.030 4.180 -4.388 1.00 0.00 H new ATOM 1011 N GLN A 66 0.495 1.313 -6.368 1.00 0.00 N ATOM 1012 CA GLN A 66 1.123 0.407 -7.314 1.00 0.00 C ATOM 1013 C GLN A 66 2.499 -0.025 -6.803 1.00 0.00 C ATOM 1014 O GLN A 66 2.796 -1.217 -6.741 1.00 0.00 O ATOM 1015 CB GLN A 66 1.230 1.048 -8.699 1.00 0.00 C ATOM 1016 CG GLN A 66 2.096 0.199 -9.632 1.00 0.00 C ATOM 1017 CD GLN A 66 1.434 0.039 -11.002 1.00 0.00 C ATOM 1018 OE1 GLN A 66 1.718 0.758 -11.945 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.537 -0.942 -11.058 1.00 0.00 N ATOM 0 H GLN A 66 0.152 2.183 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 66 0.497 -0.480 -7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.234 1.165 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.657 2.047 -8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.074 0.665 -9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.261 -0.782 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.347 -1.507 -10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.040 -1.129 -11.929 1.00 0.00 H new ATOM 1028 N ALA A 67 3.302 0.968 -6.449 1.00 0.00 N ATOM 1029 CA ALA A 67 4.639 0.705 -5.945 1.00 0.00 C ATOM 1030 C ALA A 67 4.562 -0.328 -4.820 1.00 0.00 C ATOM 1031 O ALA A 67 5.440 -1.180 -4.693 1.00 0.00 O ATOM 1032 CB ALA A 67 5.279 2.018 -5.488 1.00 0.00 C ATOM 0 H ALA A 67 3.052 1.956 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 67 5.270 0.290 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.282 1.821 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.337 2.707 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.674 2.462 -4.698 1.00 0.00 H new ATOM 1038 N ALA A 68 3.502 -0.220 -4.032 1.00 0.00 N ATOM 1039 CA ALA A 68 3.299 -1.134 -2.921 1.00 0.00 C ATOM 1040 C ALA A 68 3.060 -2.544 -3.465 1.00 0.00 C ATOM 1041 O ALA A 68 3.260 -3.529 -2.756 1.00 0.00 O ATOM 1042 CB ALA A 68 2.138 -0.638 -2.057 1.00 0.00 C ATOM 0 H ALA A 68 2.775 0.487 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 68 4.185 -1.170 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.986 -1.324 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.369 0.355 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.230 -0.592 -2.659 1.00 0.00 H new ATOM 1048 N ILE A 69 2.634 -2.596 -4.719 1.00 0.00 N ATOM 1049 CA ILE A 69 2.366 -3.869 -5.366 1.00 0.00 C ATOM 1050 C ILE A 69 3.651 -4.390 -6.011 1.00 0.00 C ATOM 1051 O ILE A 69 4.115 -5.482 -5.687 1.00 0.00 O ATOM 1052 CB ILE A 69 1.196 -3.737 -6.343 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.143 -3.782 -5.605 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.280 -4.797 -7.444 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.882 -2.448 -5.731 1.00 0.00 C ATOM 0 H ILE A 69 2.468 -1.777 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 69 2.055 -4.612 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 69 1.263 -2.763 -6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.760 -4.584 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.025 -4.011 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.437 -4.682 -8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.212 -4.675 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.251 -5.790 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.831 -2.506 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.273 -1.653 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.070 -2.234 -6.783 1.00 0.00 H new ATOM 1067 N ASP A 70 4.191 -3.583 -6.913 1.00 0.00 N ATOM 1068 CA ASP A 70 5.415 -3.948 -7.607 1.00 0.00 C ATOM 1069 C ASP A 70 6.510 -4.241 -6.580 1.00 0.00 C ATOM 1070 O ASP A 70 7.509 -4.884 -6.899 1.00 0.00 O ATOM 1071 CB ASP A 70 5.900 -2.809 -8.505 1.00 0.00 C ATOM 1072 CG ASP A 70 6.693 -3.249 -9.737 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.901 -4.449 -9.967 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.110 -2.287 -10.489 1.00 0.00 O ATOM 0 H ASP A 70 3.803 -2.678 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 70 5.207 -4.825 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.035 -2.233 -8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.522 -2.139 -7.912 1.00 0.00 H new ATOM 1080 N TYR A 71 6.287 -3.755 -5.368 1.00 0.00 N ATOM 1081 CA TYR A 71 7.243 -3.956 -4.293 1.00 0.00 C ATOM 1082 C TYR A 71 7.080 -5.342 -3.667 1.00 0.00 C ATOM 1083 O TYR A 71 8.063 -6.048 -3.449 1.00 0.00 O ATOM 1084 CB TYR A 71 6.922 -2.893 -3.240 1.00 0.00 C ATOM 1085 CG TYR A 71 7.412 -3.243 -1.833 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.717 -3.649 -1.638 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.550 -3.152 -0.760 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.178 -3.979 -0.314 1.00 0.00 C ATOM 1089 CE2 TYR A 71 7.011 -3.482 0.564 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.302 -3.879 0.721 1.00 0.00 C ATOM 1091 OH TYR A 71 8.738 -4.190 1.972 1.00 0.00 O ATOM 0 H TYR A 71 5.457 -3.222 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 71 8.264 -3.879 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.370 -1.947 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.843 -2.740 -3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.392 -3.719 -2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.529 -2.833 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.196 -4.299 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.346 -3.416 1.413 1.00 0.00 H new ATOM 0 HH TYR A 71 9.676 -4.471 1.931 1.00 0.00 H new ATOM 1101 N ILE A 72 5.831 -5.690 -3.394 1.00 0.00 N ATOM 1102 CA ILE A 72 5.526 -6.980 -2.797 1.00 0.00 C ATOM 1103 C ILE A 72 5.721 -8.079 -3.843 1.00 0.00 C ATOM 1104 O ILE A 72 5.874 -9.250 -3.497 1.00 0.00 O ATOM 1105 CB ILE A 72 4.130 -6.965 -2.173 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.949 -5.750 -1.261 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.842 -8.278 -1.442 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.369 -6.074 0.174 1.00 0.00 C ATOM 0 H ILE A 72 5.018 -5.101 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 72 6.213 -7.193 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 72 3.398 -6.876 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.542 -4.917 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.907 -5.432 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.843 -8.241 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.901 -9.107 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.577 -8.422 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.230 -5.193 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.758 -6.892 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.418 -6.368 0.188 1.00 0.00 H new ATOM 1120 N ASN A 73 5.710 -7.664 -5.101 1.00 0.00 N ATOM 1121 CA ASN A 73 5.883 -8.600 -6.199 1.00 0.00 C ATOM 1122 C ASN A 73 7.365 -8.672 -6.573 1.00 0.00 C ATOM 1123 O ASN A 73 7.853 -9.720 -6.993 1.00 0.00 O ATOM 1124 CB ASN A 73 5.105 -8.147 -7.436 1.00 0.00 C ATOM 1125 CG ASN A 73 3.919 -9.075 -7.708 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.045 -10.120 -8.326 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.765 -8.637 -7.215 1.00 0.00 N ATOM 0 H ASN A 73 5.584 -6.692 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 73 5.512 -9.572 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.748 -7.127 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.767 -8.134 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.914 -9.185 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.730 -7.753 -6.707 1.00 0.00 H new ATOM 1134 N GLY A 74 8.040 -7.544 -6.407 1.00 0.00 N ATOM 1135 CA GLY A 74 9.456 -7.466 -6.721 1.00 0.00 C ATOM 1136 C GLY A 74 10.282 -8.306 -5.745 1.00 0.00 C ATOM 1137 O GLY A 74 11.474 -8.521 -5.960 1.00 0.00 O ATOM 0 H GLY A 74 7.632 -6.676 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.626 -7.814 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.784 -6.427 -6.680 1.00 0.00 H new ATOM 1141 N HIS A 75 9.615 -8.758 -4.693 1.00 0.00 N ATOM 1142 CA HIS A 75 10.272 -9.570 -3.683 1.00 0.00 C ATOM 1143 C HIS A 75 10.097 -11.051 -4.021 1.00 0.00 C ATOM 1144 O HIS A 75 11.071 -11.800 -4.071 1.00 0.00 O ATOM 1145 CB HIS A 75 9.762 -9.216 -2.284 1.00 0.00 C ATOM 1146 CG HIS A 75 10.845 -8.784 -1.326 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.711 -7.739 -1.595 1.00 0.00 N ATOM 1148 CD2 HIS A 75 11.193 -9.266 -0.098 1.00 0.00 C ATOM 1149 CE1 HIS A 75 12.539 -7.607 -0.569 1.00 0.00 C ATOM 1150 NE2 HIS A 75 12.217 -8.555 0.358 1.00 0.00 N ATOM 0 H HIS A 75 8.626 -8.577 -4.518 1.00 0.00 H new ATOM 0 HA HIS A 75 11.341 -9.358 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.026 -8.416 -2.369 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.246 -10.081 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.716 -10.087 0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.330 -6.877 -0.482 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.686 -8.694 1.253 1.00 0.00 H new