USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 118 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -154:sc= -0.24 (180deg=-1) USER MOD Set 2.1: A 108 SER OG : rot 180:sc= -0.53 USER MOD Set 2.2: A 137 GLN : amide:sc= 0 X(o=-0.53,f=-0.67) USER MOD Set 3.1: A 99 GLN : amide:sc= -0.0124 X(o=-2.2,f=-2.1) USER MOD Set 3.2: A 103 ASN : amide:sc= -2.19! X(o=-2.2!,f=-2.1) USER MOD Set 4.1: A 90 THR OG1 : rot -169:sc= 0.881 USER MOD Set 4.2: A 93 ASN : amide:sc= -0.697 K(o=0.18,f=-6.3!) USER MOD Set 5.1: A 43 TYR OH : rot -22:sc= 0.36 USER MOD Set 5.2: A 68 HIS : no HD1:sc= -1.18 K(o=-0.82,f=-2) USER MOD Single : A 14 GLN :FLIP amide:sc= -4.59! C(o=-5.2!,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot 72:sc= 0.745 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.242 (180deg=-0.849) USER MOD Single : A 21 MET CE :methyl -137:sc= -0.46 (180deg=-1.73) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 0.0508 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 52 SER OG : rot 180:sc= -1.82 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.0547 (180deg=-0.337) USER MOD Single : A 63 MET CE :methyl -156:sc= -10.5! (180deg=-12!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -7:sc= -0.949 USER MOD Single : A 88 MET CE :methyl -170:sc= -9.12! (180deg=-9.76!) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.902 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0617 F(o=-0.65,f=-0.062) USER MOD Single : A 106 TYR OH : rot 110:sc= -0.0227 USER MOD Single : A 109 TYR OH : rot -49:sc= -0.624 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -4.11! C(o=-4.1!,f=-4!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -1.41! C(o=-1.4!,f=-2!) USER MOD Single : A 133 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.4!) USER MOD Single : A 136 THR OG1 : rot 150:sc= -0.306 USER MOD Single : A 140 LYS NZ :NH3+ -106:sc= 0.153 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -3.55! C(o=-3.6!,f=-3.3!) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.127 -3.138 -18.470 1.00 0.00 N ATOM 23 CA ILE A 10 -8.887 -2.743 -17.822 1.00 0.00 C ATOM 24 C ILE A 10 -9.148 -2.188 -16.422 1.00 0.00 C ATOM 25 O ILE A 10 -8.630 -2.708 -15.437 1.00 0.00 O ATOM 26 CB ILE A 10 -8.121 -1.704 -18.667 1.00 0.00 C ATOM 27 CG1 ILE A 10 -7.468 -2.395 -19.862 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.072 -0.985 -17.831 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.168 -2.121 -21.170 1.00 0.00 C ATOM 0 HA ILE A 10 -8.271 -3.637 -17.731 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.830 -0.958 -19.026 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.431 -2.069 -19.938 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.452 -3.471 -19.686 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.547 -0.259 -18.452 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.558 -0.470 -17.002 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.359 -1.710 -17.440 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.651 -2.643 -21.976 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.198 -2.473 -21.112 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.161 -1.049 -21.369 1.00 0.00 H new ATOM 41 N ARG A 11 -9.951 -1.129 -16.337 1.00 0.00 N ATOM 42 CA ARG A 11 -10.262 -0.519 -15.046 1.00 0.00 C ATOM 43 C ARG A 11 -10.740 -1.563 -14.046 1.00 0.00 C ATOM 44 O ARG A 11 -10.569 -1.402 -12.837 1.00 0.00 O ATOM 45 CB ARG A 11 -11.309 0.581 -15.199 1.00 0.00 C ATOM 46 CG ARG A 11 -11.019 1.794 -14.329 1.00 0.00 C ATOM 47 CD ARG A 11 -12.189 2.137 -13.422 1.00 0.00 C ATOM 48 NE ARG A 11 -12.731 3.462 -13.709 1.00 0.00 N ATOM 49 CZ ARG A 11 -13.971 3.841 -13.404 1.00 0.00 C ATOM 50 NH1 ARG A 11 -14.800 3.001 -12.798 1.00 0.00 N ATOM 51 NH2 ARG A 11 -14.381 5.066 -13.704 1.00 0.00 N ATOM 0 H ARG A 11 -10.394 -0.679 -17.138 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.344 -0.073 -14.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.354 0.891 -16.243 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.290 0.181 -14.942 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.134 1.602 -13.722 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.790 2.649 -14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.973 1.390 -13.543 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.866 2.094 -12.382 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.123 4.138 -14.171 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.489 2.058 -12.563 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.748 3.298 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.747 5.717 -14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.330 5.357 -13.471 1.00 0.00 H new ATOM 65 N GLU A 12 -11.327 -2.642 -14.549 1.00 0.00 N ATOM 66 CA GLU A 12 -11.802 -3.707 -13.681 1.00 0.00 C ATOM 67 C GLU A 12 -10.623 -4.371 -12.984 1.00 0.00 C ATOM 68 O GLU A 12 -10.677 -4.658 -11.789 1.00 0.00 O ATOM 69 CB GLU A 12 -12.595 -4.743 -14.476 1.00 0.00 C ATOM 70 CG GLU A 12 -14.087 -4.455 -14.534 1.00 0.00 C ATOM 71 CD GLU A 12 -14.890 -5.351 -13.611 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.716 -5.242 -12.379 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.694 -6.160 -14.120 1.00 0.00 O ATOM 0 H GLU A 12 -11.484 -2.800 -15.544 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.464 -3.273 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.202 -4.787 -15.492 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.440 -5.726 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.263 -3.413 -14.266 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.439 -4.585 -15.557 1.00 0.00 H new ATOM 80 N ARG A 13 -9.550 -4.602 -13.739 1.00 0.00 N ATOM 81 CA ARG A 13 -8.356 -5.220 -13.181 1.00 0.00 C ATOM 82 C ARG A 13 -7.729 -4.308 -12.132 1.00 0.00 C ATOM 83 O ARG A 13 -7.117 -4.776 -11.171 1.00 0.00 O ATOM 84 CB ARG A 13 -7.340 -5.555 -14.280 1.00 0.00 C ATOM 85 CG ARG A 13 -6.564 -4.355 -14.805 1.00 0.00 C ATOM 86 CD ARG A 13 -5.073 -4.503 -14.546 1.00 0.00 C ATOM 87 NE ARG A 13 -4.272 -3.731 -15.493 1.00 0.00 N ATOM 88 CZ ARG A 13 -2.983 -3.958 -15.733 1.00 0.00 C ATOM 89 NH1 ARG A 13 -2.344 -4.935 -15.100 1.00 0.00 N ATOM 90 NH2 ARG A 13 -2.330 -3.208 -16.610 1.00 0.00 N ATOM 0 H ARG A 13 -9.486 -4.371 -14.731 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.650 -6.154 -12.702 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.633 -6.289 -13.893 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.864 -6.026 -15.112 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.740 -4.246 -15.875 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.929 -3.446 -14.327 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.848 -4.177 -13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.797 -5.555 -14.611 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.728 -2.973 -16.000 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.841 -5.516 -14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.356 -5.104 -15.288 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.816 -2.457 -17.101 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.342 -3.382 -16.794 1.00 0.00 H new ATOM 104 N GLN A 14 -7.901 -2.999 -12.314 1.00 0.00 N ATOM 105 CA GLN A 14 -7.369 -2.023 -11.372 1.00 0.00 C ATOM 106 C GLN A 14 -7.905 -2.309 -9.978 1.00 0.00 C ATOM 107 O GLN A 14 -7.158 -2.334 -8.999 1.00 0.00 O ATOM 108 CB GLN A 14 -7.760 -0.605 -11.786 1.00 0.00 C ATOM 109 CG GLN A 14 -7.084 -0.124 -13.057 1.00 0.00 C ATOM 110 CD GLN A 14 -7.096 1.385 -13.172 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.413 2.049 -12.247 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -7.709 1.947 -14.079 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.404 -2.594 -13.104 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.282 -2.101 -11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.841 -0.563 -11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.514 0.080 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.054 -0.480 -13.077 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.588 -0.557 -13.921 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.220 1.395 -14.768 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.706 2.965 -14.142 1.00 0.00 H new ATOM 121 N THR A 15 -9.216 -2.526 -9.903 1.00 0.00 N ATOM 122 CA THR A 15 -9.870 -2.813 -8.634 1.00 0.00 C ATOM 123 C THR A 15 -9.427 -4.163 -8.078 1.00 0.00 C ATOM 124 O THR A 15 -9.444 -4.376 -6.868 1.00 0.00 O ATOM 125 CB THR A 15 -11.390 -2.784 -8.796 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.750 -2.496 -10.136 1.00 0.00 O ATOM 127 CG2 THR A 15 -12.057 -1.756 -7.911 1.00 0.00 C ATOM 0 H THR A 15 -9.844 -2.508 -10.707 1.00 0.00 H new ATOM 0 HA THR A 15 -9.575 -2.039 -7.925 1.00 0.00 H new ATOM 0 HB THR A 15 -11.733 -3.777 -8.504 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.549 -3.270 -10.702 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.135 -1.783 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.839 -1.979 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.679 -0.764 -8.157 1.00 0.00 H new ATOM 135 N VAL A 16 -9.023 -5.075 -8.961 1.00 0.00 N ATOM 136 CA VAL A 16 -8.574 -6.394 -8.528 1.00 0.00 C ATOM 137 C VAL A 16 -7.441 -6.265 -7.516 1.00 0.00 C ATOM 138 O VAL A 16 -7.569 -6.690 -6.368 1.00 0.00 O ATOM 139 CB VAL A 16 -8.097 -7.258 -9.712 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.648 -8.629 -9.229 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.198 -7.394 -10.751 1.00 0.00 C ATOM 0 H VAL A 16 -8.998 -4.926 -9.970 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.430 -6.886 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.245 -6.762 -10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.315 -9.223 -10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.826 -8.515 -8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.481 -9.133 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.843 -8.007 -11.579 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.070 -7.866 -10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.472 -6.406 -11.122 1.00 0.00 H new ATOM 151 N ALA A 17 -6.337 -5.661 -7.945 1.00 0.00 N ATOM 152 CA ALA A 17 -5.190 -5.465 -7.066 1.00 0.00 C ATOM 153 C ALA A 17 -5.590 -4.663 -5.833 1.00 0.00 C ATOM 154 O ALA A 17 -5.020 -4.834 -4.754 1.00 0.00 O ATOM 155 CB ALA A 17 -4.065 -4.758 -7.809 1.00 0.00 C ATOM 0 H ALA A 17 -6.213 -5.301 -8.891 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.836 -6.444 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.217 -4.620 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.758 -5.361 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.414 -3.786 -8.158 1.00 0.00 H new ATOM 161 N LEU A 18 -6.571 -3.783 -6.005 1.00 0.00 N ATOM 162 CA LEU A 18 -7.055 -2.945 -4.913 1.00 0.00 C ATOM 163 C LEU A 18 -7.880 -3.755 -3.918 1.00 0.00 C ATOM 164 O LEU A 18 -7.478 -3.942 -2.771 1.00 0.00 O ATOM 165 CB LEU A 18 -7.899 -1.802 -5.471 1.00 0.00 C ATOM 166 CG LEU A 18 -7.104 -0.652 -6.091 1.00 0.00 C ATOM 167 CD1 LEU A 18 -8.015 0.240 -6.922 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.403 0.151 -5.005 1.00 0.00 C ATOM 0 H LEU A 18 -7.048 -3.631 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.189 -2.540 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.575 -2.205 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.519 -1.403 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.345 -1.070 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.432 1.053 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.469 -0.347 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.798 0.654 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.841 0.966 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.145 0.561 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.720 -0.498 -4.456 1.00 0.00 H new ATOM 180 N LYS A 19 -9.036 -4.233 -4.366 1.00 0.00 N ATOM 181 CA LYS A 19 -9.919 -5.023 -3.514 1.00 0.00 C ATOM 182 C LYS A 19 -9.153 -6.160 -2.848 1.00 0.00 C ATOM 183 O LYS A 19 -9.459 -6.554 -1.723 1.00 0.00 O ATOM 184 CB LYS A 19 -11.083 -5.588 -4.333 1.00 0.00 C ATOM 185 CG LYS A 19 -12.347 -4.748 -4.256 1.00 0.00 C ATOM 186 CD LYS A 19 -12.570 -3.955 -5.534 1.00 0.00 C ATOM 187 CE LYS A 19 -12.997 -4.857 -6.682 1.00 0.00 C ATOM 188 NZ LYS A 19 -14.039 -5.835 -6.264 1.00 0.00 N ATOM 0 H LYS A 19 -9.384 -4.088 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.315 -4.369 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.776 -5.672 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.305 -6.596 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.205 -5.396 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.279 -4.064 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.333 -3.195 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.653 -3.431 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.380 -4.247 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.129 -5.393 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.529 -6.201 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.591 -6.623 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.726 -5.365 -5.641 1.00 0.00 H new ATOM 202 N ARG A 20 -8.152 -6.679 -3.549 1.00 0.00 N ATOM 203 CA ARG A 20 -7.338 -7.766 -3.026 1.00 0.00 C ATOM 204 C ARG A 20 -6.648 -7.350 -1.732 1.00 0.00 C ATOM 205 O ARG A 20 -6.745 -8.039 -0.717 1.00 0.00 O ATOM 206 CB ARG A 20 -6.297 -8.198 -4.061 1.00 0.00 C ATOM 207 CG ARG A 20 -6.741 -9.377 -4.912 1.00 0.00 C ATOM 208 CD ARG A 20 -5.582 -9.960 -5.704 1.00 0.00 C ATOM 209 NE ARG A 20 -4.563 -10.543 -4.836 1.00 0.00 N ATOM 210 CZ ARG A 20 -3.315 -10.800 -5.226 1.00 0.00 C ATOM 211 NH1 ARG A 20 -2.933 -10.527 -6.467 1.00 0.00 N ATOM 212 NH2 ARG A 20 -2.450 -11.330 -4.373 1.00 0.00 N ATOM 0 H ARG A 20 -7.885 -6.363 -4.482 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.994 -8.610 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.072 -7.354 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.372 -8.459 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.170 -10.148 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.527 -9.058 -5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.957 -10.723 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.132 -9.178 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.821 -10.767 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.596 -10.119 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.977 -10.725 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.740 -11.541 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.495 -11.527 -4.672 1.00 0.00 H new ATOM 226 N MET A 21 -5.957 -6.216 -1.771 1.00 0.00 N ATOM 227 CA MET A 21 -5.256 -5.715 -0.594 1.00 0.00 C ATOM 228 C MET A 21 -6.199 -4.926 0.313 1.00 0.00 C ATOM 229 O MET A 21 -5.862 -4.619 1.456 1.00 0.00 O ATOM 230 CB MET A 21 -4.071 -4.842 -1.011 1.00 0.00 C ATOM 231 CG MET A 21 -4.474 -3.529 -1.661 1.00 0.00 C ATOM 232 SD MET A 21 -4.742 -2.214 -0.459 1.00 0.00 S ATOM 233 CE MET A 21 -4.341 -0.774 -1.444 1.00 0.00 C ATOM 0 H MET A 21 -5.867 -5.629 -2.600 1.00 0.00 H new ATOM 0 HA MET A 21 -4.883 -6.573 -0.034 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.462 -4.630 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.445 -5.403 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.698 -3.222 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.386 -3.679 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.736 -0.086 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.782 -1.082 -2.328 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.261 -0.276 -1.752 1.00 0.00 H new ATOM 487 N TRP A 38 -7.413 -5.131 11.536 1.00 0.00 N ATOM 488 CA TRP A 38 -7.397 -3.862 10.819 1.00 0.00 C ATOM 489 C TRP A 38 -6.274 -3.836 9.786 1.00 0.00 C ATOM 490 O TRP A 38 -5.366 -4.666 9.824 1.00 0.00 O ATOM 491 CB TRP A 38 -7.233 -2.703 11.802 1.00 0.00 C ATOM 492 CG TRP A 38 -8.521 -2.271 12.431 1.00 0.00 C ATOM 493 CD1 TRP A 38 -8.938 -2.528 13.705 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.563 -1.506 11.814 1.00 0.00 C ATOM 495 NE1 TRP A 38 -10.175 -1.971 13.919 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.580 -1.338 12.772 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.734 -0.947 10.544 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.751 -0.634 12.500 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.896 -0.249 10.275 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.891 -0.098 11.250 1.00 0.00 C ATOM 0 HA TRP A 38 -8.347 -3.753 10.296 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.535 -2.997 12.586 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.789 -1.855 11.281 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.377 -3.088 14.438 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.706 -2.020 14.789 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.972 -1.059 9.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.520 -0.516 13.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.040 0.187 9.297 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.788 0.454 11.009 1.00 0.00 H new ATOM 511 N LYS A 39 -6.345 -2.883 8.861 1.00 0.00 N ATOM 512 CA LYS A 39 -5.334 -2.759 7.816 1.00 0.00 C ATOM 513 C LYS A 39 -5.083 -1.296 7.458 1.00 0.00 C ATOM 514 O LYS A 39 -6.003 -0.481 7.451 1.00 0.00 O ATOM 515 CB LYS A 39 -5.766 -3.534 6.569 1.00 0.00 C ATOM 516 CG LYS A 39 -5.195 -4.941 6.497 1.00 0.00 C ATOM 517 CD LYS A 39 -5.191 -5.469 5.070 1.00 0.00 C ATOM 518 CE LYS A 39 -3.818 -5.978 4.666 1.00 0.00 C ATOM 519 NZ LYS A 39 -3.802 -6.487 3.267 1.00 0.00 N ATOM 0 H LYS A 39 -7.090 -2.187 8.814 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.404 -3.180 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.854 -3.591 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.457 -2.980 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.178 -4.943 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.782 -5.606 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.920 -6.274 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.502 -4.678 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.089 -5.174 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.512 -6.774 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.833 -6.442 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.133 -7.473 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.429 -5.903 2.678 1.00 0.00 H new ATOM 533 N VAL A 40 -3.829 -0.976 7.156 1.00 0.00 N ATOM 534 CA VAL A 40 -3.447 0.379 6.790 1.00 0.00 C ATOM 535 C VAL A 40 -3.127 0.455 5.299 1.00 0.00 C ATOM 536 O VAL A 40 -2.871 -0.566 4.663 1.00 0.00 O ATOM 537 CB VAL A 40 -2.230 0.838 7.628 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.209 1.583 6.780 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.688 1.692 8.797 1.00 0.00 C ATOM 0 H VAL A 40 -3.057 -1.643 7.158 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.283 1.046 6.999 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.737 -0.053 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.370 1.888 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.850 0.929 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.675 2.466 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.822 2.008 9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.214 2.570 8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.358 1.112 9.431 1.00 0.00 H new ATOM 549 N LEU A 41 -3.141 1.663 4.742 1.00 0.00 N ATOM 550 CA LEU A 41 -2.847 1.844 3.331 1.00 0.00 C ATOM 551 C LEU A 41 -2.080 3.145 3.091 1.00 0.00 C ATOM 552 O LEU A 41 -2.389 4.181 3.679 1.00 0.00 O ATOM 553 CB LEU A 41 -4.151 1.817 2.514 1.00 0.00 C ATOM 554 CG LEU A 41 -4.428 3.054 1.653 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.923 2.840 0.233 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.910 3.383 1.650 1.00 0.00 C ATOM 0 H LEU A 41 -3.352 2.524 5.246 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.211 1.022 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.131 0.943 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.985 1.683 3.202 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.892 3.899 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.128 3.729 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.849 2.656 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.430 1.982 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.086 4.264 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.469 2.539 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.241 3.582 2.669 1.00 0.00 H new ATOM 568 N ILE A 42 -1.098 3.079 2.201 1.00 0.00 N ATOM 569 CA ILE A 42 -0.293 4.237 1.838 1.00 0.00 C ATOM 570 C ILE A 42 -0.294 4.399 0.328 1.00 0.00 C ATOM 571 O ILE A 42 0.282 3.579 -0.390 1.00 0.00 O ATOM 572 CB ILE A 42 1.172 4.107 2.311 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.264 3.508 3.721 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.865 5.460 2.259 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.289 4.087 4.722 1.00 0.00 C ATOM 0 H ILE A 42 -0.838 2.223 1.712 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.736 5.103 2.330 1.00 0.00 H new ATOM 0 HB ILE A 42 1.680 3.422 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.099 2.433 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.277 3.653 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.896 5.354 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.854 5.836 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.342 6.162 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.429 3.602 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.465 5.158 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.731 3.919 4.376 1.00 0.00 H new ATOM 587 N TYR A 43 -0.954 5.440 -0.161 1.00 0.00 N ATOM 588 CA TYR A 43 -1.024 5.666 -1.599 1.00 0.00 C ATOM 589 C TYR A 43 -0.267 6.919 -2.021 1.00 0.00 C ATOM 590 O TYR A 43 -0.097 7.857 -1.241 1.00 0.00 O ATOM 591 CB TYR A 43 -2.477 5.758 -2.062 1.00 0.00 C ATOM 592 CG TYR A 43 -3.346 6.617 -1.180 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.774 6.159 0.055 1.00 0.00 C ATOM 594 CD2 TYR A 43 -3.746 7.879 -1.590 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.579 6.938 0.863 1.00 0.00 C ATOM 596 CE2 TYR A 43 -4.549 8.666 -0.790 1.00 0.00 C ATOM 597 CZ TYR A 43 -4.964 8.191 0.436 1.00 0.00 C ATOM 598 OH TYR A 43 -5.766 8.971 1.237 1.00 0.00 O ATOM 0 H TYR A 43 -1.442 6.133 0.407 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.547 4.811 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.500 6.156 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.899 4.754 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.474 5.178 0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.424 8.252 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.905 6.568 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.851 9.648 -1.122 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.247 8.401 1.873 1.00 0.00 H new ATOM 608 N ASP A 44 0.185 6.912 -3.272 1.00 0.00 N ATOM 609 CA ASP A 44 0.921 8.031 -3.844 1.00 0.00 C ATOM 610 C ASP A 44 0.012 8.847 -4.753 1.00 0.00 C ATOM 611 O ASP A 44 -1.203 8.652 -4.767 1.00 0.00 O ATOM 612 CB ASP A 44 2.122 7.522 -4.640 1.00 0.00 C ATOM 613 CG ASP A 44 3.304 8.471 -4.596 1.00 0.00 C ATOM 614 OD1 ASP A 44 3.560 9.055 -3.525 1.00 0.00 O ATOM 615 OD2 ASP A 44 3.973 8.631 -5.639 1.00 0.00 O ATOM 0 H ASP A 44 0.051 6.132 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 44 1.276 8.665 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.427 6.552 -4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.825 7.367 -5.677 1.00 0.00 H new ATOM 620 N ARG A 45 0.609 9.752 -5.521 1.00 0.00 N ATOM 621 CA ARG A 45 -0.145 10.591 -6.447 1.00 0.00 C ATOM 622 C ARG A 45 -1.127 9.745 -7.257 1.00 0.00 C ATOM 623 O ARG A 45 -2.329 10.018 -7.283 1.00 0.00 O ATOM 624 CB ARG A 45 0.813 11.325 -7.390 1.00 0.00 C ATOM 625 CG ARG A 45 1.493 12.531 -6.761 1.00 0.00 C ATOM 626 CD ARG A 45 2.539 12.123 -5.734 1.00 0.00 C ATOM 627 NE ARG A 45 3.635 11.369 -6.337 1.00 0.00 N ATOM 628 CZ ARG A 45 4.834 11.225 -5.776 1.00 0.00 C ATOM 629 NH1 ARG A 45 5.092 11.777 -4.597 1.00 0.00 N ATOM 630 NH2 ARG A 45 5.775 10.526 -6.394 1.00 0.00 N ATOM 0 H ARG A 45 1.614 9.924 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.709 11.324 -5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.577 10.627 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.261 11.650 -8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.964 13.129 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.743 13.162 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.937 13.014 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.068 11.520 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 45 3.472 10.927 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.370 12.314 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.012 11.664 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.581 10.098 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.693 10.416 -5.964 1.00 0.00 H new ATOM 644 N PHE A 46 -0.605 8.708 -7.903 1.00 0.00 N ATOM 645 CA PHE A 46 -1.432 7.812 -8.701 1.00 0.00 C ATOM 646 C PHE A 46 -2.303 6.941 -7.802 1.00 0.00 C ATOM 647 O PHE A 46 -3.452 6.651 -8.131 1.00 0.00 O ATOM 648 CB PHE A 46 -0.556 6.936 -9.598 1.00 0.00 C ATOM 649 CG PHE A 46 -0.217 7.579 -10.912 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.307 8.861 -10.956 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.424 6.902 -12.104 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.620 9.456 -12.162 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.114 7.493 -13.314 1.00 0.00 C ATOM 654 CZ PHE A 46 0.409 8.772 -13.343 1.00 0.00 C ATOM 0 H PHE A 46 0.386 8.468 -7.889 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.083 8.418 -9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.367 6.697 -9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.069 5.993 -9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.473 9.401 -10.036 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.832 5.902 -12.087 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.029 10.455 -12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.280 6.956 -14.236 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.652 9.236 -14.288 1.00 0.00 H new ATOM 664 N GLY A 47 -1.750 6.535 -6.658 1.00 0.00 N ATOM 665 CA GLY A 47 -2.496 5.708 -5.721 1.00 0.00 C ATOM 666 C GLY A 47 -3.893 6.246 -5.475 1.00 0.00 C ATOM 667 O GLY A 47 -4.871 5.502 -5.528 1.00 0.00 O ATOM 0 H GLY A 47 -0.800 6.764 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.562 4.691 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.956 5.655 -4.775 1.00 0.00 H new ATOM 671 N GLN A 48 -3.985 7.549 -5.228 1.00 0.00 N ATOM 672 CA GLN A 48 -5.272 8.193 -4.999 1.00 0.00 C ATOM 673 C GLN A 48 -6.040 8.284 -6.311 1.00 0.00 C ATOM 674 O GLN A 48 -7.270 8.233 -6.334 1.00 0.00 O ATOM 675 CB GLN A 48 -5.077 9.591 -4.408 1.00 0.00 C ATOM 676 CG GLN A 48 -4.176 10.485 -5.243 1.00 0.00 C ATOM 677 CD GLN A 48 -4.464 11.959 -5.034 1.00 0.00 C ATOM 678 OE1 GLN A 48 -5.599 12.410 -5.189 1.00 0.00 O ATOM 679 NE2 GLN A 48 -3.432 12.719 -4.683 1.00 0.00 N ATOM 0 H GLN A 48 -3.184 8.179 -5.182 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.842 7.595 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.050 10.070 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.655 9.498 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.135 10.282 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.303 10.239 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.508 12.302 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.563 13.719 -4.531 1.00 0.00 H new ATOM 688 N ASP A 49 -5.294 8.408 -7.406 1.00 0.00 N ATOM 689 CA ASP A 49 -5.881 8.494 -8.738 1.00 0.00 C ATOM 690 C ASP A 49 -6.613 7.204 -9.109 1.00 0.00 C ATOM 691 O ASP A 49 -7.323 7.154 -10.113 1.00 0.00 O ATOM 692 CB ASP A 49 -4.788 8.774 -9.772 1.00 0.00 C ATOM 693 CG ASP A 49 -5.330 9.439 -11.021 1.00 0.00 C ATOM 694 OD1 ASP A 49 -6.077 8.777 -11.771 1.00 0.00 O ATOM 695 OD2 ASP A 49 -5.006 10.624 -11.251 1.00 0.00 O ATOM 0 H ASP A 49 -4.275 8.451 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.604 9.310 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.025 9.412 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.301 7.838 -10.045 1.00 0.00 H new ATOM 700 N ILE A 50 -6.417 6.156 -8.312 1.00 0.00 N ATOM 701 CA ILE A 50 -7.040 4.867 -8.577 1.00 0.00 C ATOM 702 C ILE A 50 -7.905 4.402 -7.411 1.00 0.00 C ATOM 703 O ILE A 50 -8.984 3.844 -7.609 1.00 0.00 O ATOM 704 CB ILE A 50 -5.962 3.808 -8.858 1.00 0.00 C ATOM 705 CG1 ILE A 50 -5.033 4.299 -9.965 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.587 2.471 -9.226 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.575 4.218 -9.590 1.00 0.00 C ATOM 0 H ILE A 50 -5.831 6.177 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.682 4.991 -9.449 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.379 3.656 -7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.204 3.708 -10.864 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.283 5.331 -10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.800 1.742 -9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.211 2.122 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.199 2.589 -10.120 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.966 4.581 -10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.392 4.832 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.312 3.183 -9.373 1.00 0.00 H new ATOM 719 N ILE A 51 -7.422 4.621 -6.196 1.00 0.00 N ATOM 720 CA ILE A 51 -8.154 4.210 -5.005 1.00 0.00 C ATOM 721 C ILE A 51 -9.511 4.913 -4.924 1.00 0.00 C ATOM 722 O ILE A 51 -10.534 4.277 -4.686 1.00 0.00 O ATOM 723 CB ILE A 51 -7.326 4.467 -3.712 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.208 3.179 -2.889 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.928 5.585 -2.863 1.00 0.00 C ATOM 726 CD1 ILE A 51 -5.778 2.753 -2.633 1.00 0.00 C ATOM 0 H ILE A 51 -6.530 5.079 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.329 3.137 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.331 4.787 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.713 3.321 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.730 2.376 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.320 5.732 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.952 6.508 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.942 5.314 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.771 1.835 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.274 2.579 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.257 3.538 -2.085 1.00 0.00 H new ATOM 738 N SER A 52 -9.508 6.227 -5.110 1.00 0.00 N ATOM 739 CA SER A 52 -10.734 7.014 -5.039 1.00 0.00 C ATOM 740 C SER A 52 -11.765 6.578 -6.090 1.00 0.00 C ATOM 741 O SER A 52 -12.894 6.230 -5.747 1.00 0.00 O ATOM 742 CB SER A 52 -10.413 8.505 -5.194 1.00 0.00 C ATOM 743 OG SER A 52 -11.051 9.063 -6.332 1.00 0.00 O ATOM 0 H SER A 52 -8.669 6.771 -5.311 1.00 0.00 H new ATOM 0 HA SER A 52 -11.178 6.839 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.731 9.041 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.335 8.638 -5.279 1.00 0.00 H new ATOM 0 HG SER A 52 -10.826 10.014 -6.399 1.00 0.00 H new ATOM 749 N PRO A 53 -11.408 6.605 -7.389 1.00 0.00 N ATOM 750 CA PRO A 53 -12.330 6.227 -8.465 1.00 0.00 C ATOM 751 C PRO A 53 -13.055 4.913 -8.185 1.00 0.00 C ATOM 752 O PRO A 53 -14.143 4.674 -8.709 1.00 0.00 O ATOM 753 CB PRO A 53 -11.430 6.090 -9.704 1.00 0.00 C ATOM 754 CG PRO A 53 -10.026 6.287 -9.226 1.00 0.00 C ATOM 755 CD PRO A 53 -10.106 7.022 -7.919 1.00 0.00 C ATOM 0 HA PRO A 53 -13.121 6.968 -8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.550 5.110 -10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.692 6.832 -10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.524 5.328 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.447 6.856 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.290 6.747 -7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.053 8.102 -8.059 1.00 0.00 H new ATOM 763 N LEU A 54 -12.455 4.069 -7.354 1.00 0.00 N ATOM 764 CA LEU A 54 -13.056 2.786 -7.006 1.00 0.00 C ATOM 765 C LEU A 54 -13.169 2.632 -5.492 1.00 0.00 C ATOM 766 O LEU A 54 -13.261 1.516 -4.979 1.00 0.00 O ATOM 767 CB LEU A 54 -12.225 1.639 -7.581 1.00 0.00 C ATOM 768 CG LEU A 54 -11.778 1.829 -9.031 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.358 1.316 -9.225 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.734 1.123 -9.978 1.00 0.00 C ATOM 0 H LEU A 54 -11.555 4.249 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.058 2.754 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.340 1.503 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.806 0.719 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.791 2.895 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.058 1.460 -10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.680 1.865 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.318 0.255 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.401 1.268 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.752 0.057 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.736 1.536 -9.859 1.00 0.00 H new ATOM 782 N LEU A 55 -13.142 3.754 -4.777 1.00 0.00 N ATOM 783 CA LEU A 55 -13.220 3.729 -3.325 1.00 0.00 C ATOM 784 C LEU A 55 -13.378 5.134 -2.744 1.00 0.00 C ATOM 785 O LEU A 55 -13.003 6.121 -3.369 1.00 0.00 O ATOM 786 CB LEU A 55 -11.963 3.072 -2.781 1.00 0.00 C ATOM 787 CG LEU A 55 -12.210 1.995 -1.745 1.00 0.00 C ATOM 788 CD1 LEU A 55 -11.103 0.962 -1.797 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.315 2.627 -0.375 1.00 0.00 C ATOM 0 H LEU A 55 -13.067 4.688 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.101 3.158 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.408 2.637 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.328 3.841 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.150 1.485 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.289 0.192 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.076 0.507 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.147 1.443 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.493 1.852 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.386 3.148 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.142 3.337 -0.364 1.00 0.00 H new ATOM 801 N SER A 56 -13.932 5.217 -1.537 1.00 0.00 N ATOM 802 CA SER A 56 -14.126 6.504 -0.875 1.00 0.00 C ATOM 803 C SER A 56 -13.601 6.464 0.558 1.00 0.00 C ATOM 804 O SER A 56 -13.087 5.442 1.011 1.00 0.00 O ATOM 805 CB SER A 56 -15.605 6.901 -0.887 1.00 0.00 C ATOM 806 OG SER A 56 -15.771 8.238 -1.327 1.00 0.00 O ATOM 0 H SER A 56 -14.253 4.412 -0.999 1.00 0.00 H new ATOM 0 HA SER A 56 -13.560 7.254 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.160 6.228 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.023 6.790 0.114 1.00 0.00 H new ATOM 0 HG SER A 56 -16.724 8.466 -1.327 1.00 0.00 H new ATOM 812 N VAL A 57 -13.730 7.583 1.263 1.00 0.00 N ATOM 813 CA VAL A 57 -13.262 7.682 2.644 1.00 0.00 C ATOM 814 C VAL A 57 -14.073 6.785 3.569 1.00 0.00 C ATOM 815 O VAL A 57 -13.518 6.035 4.371 1.00 0.00 O ATOM 816 CB VAL A 57 -13.351 9.128 3.169 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.439 9.316 4.372 1.00 0.00 C ATOM 818 CG2 VAL A 57 -13.013 10.124 2.073 1.00 0.00 C ATOM 0 H VAL A 57 -14.155 8.437 0.901 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.221 7.360 2.640 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.377 9.314 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.515 10.343 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.739 8.632 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.409 9.107 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.083 11.137 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.999 9.943 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.714 10.008 1.247 1.00 0.00 H new ATOM 828 N LYS A 58 -15.389 6.879 3.459 1.00 0.00 N ATOM 829 CA LYS A 58 -16.282 6.085 4.297 1.00 0.00 C ATOM 830 C LYS A 58 -16.192 4.603 3.951 1.00 0.00 C ATOM 831 O LYS A 58 -16.333 3.748 4.824 1.00 0.00 O ATOM 832 CB LYS A 58 -17.725 6.575 4.156 1.00 0.00 C ATOM 833 CG LYS A 58 -18.388 6.906 5.484 1.00 0.00 C ATOM 834 CD LYS A 58 -18.649 5.654 6.304 1.00 0.00 C ATOM 835 CE LYS A 58 -19.935 5.771 7.106 1.00 0.00 C ATOM 836 NZ LYS A 58 -21.138 5.773 6.229 1.00 0.00 N ATOM 0 H LYS A 58 -15.864 7.495 2.800 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.967 6.210 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.739 7.461 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.312 5.810 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.752 7.587 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.329 7.426 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.709 4.790 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.812 5.480 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.000 4.942 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.913 6.688 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.964 5.450 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.310 6.737 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.982 5.134 5.424 1.00 0.00 H new ATOM 850 N GLU A 59 -15.934 4.302 2.684 1.00 0.00 N ATOM 851 CA GLU A 59 -15.802 2.913 2.257 1.00 0.00 C ATOM 852 C GLU A 59 -14.453 2.382 2.711 1.00 0.00 C ATOM 853 O GLU A 59 -14.304 1.202 3.030 1.00 0.00 O ATOM 854 CB GLU A 59 -15.944 2.767 0.734 1.00 0.00 C ATOM 855 CG GLU A 59 -16.512 3.993 0.044 1.00 0.00 C ATOM 856 CD GLU A 59 -16.894 3.727 -1.399 1.00 0.00 C ATOM 857 OE1 GLU A 59 -16.032 3.904 -2.284 1.00 0.00 O ATOM 858 OE2 GLU A 59 -18.057 3.344 -1.645 1.00 0.00 O ATOM 0 H GLU A 59 -15.813 4.991 1.942 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.606 2.335 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.965 2.545 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.586 1.913 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.390 4.339 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.778 4.798 0.079 1.00 0.00 H new ATOM 865 N LEU A 60 -13.475 3.282 2.757 1.00 0.00 N ATOM 866 CA LEU A 60 -12.131 2.936 3.191 1.00 0.00 C ATOM 867 C LEU A 60 -12.160 2.344 4.592 1.00 0.00 C ATOM 868 O LEU A 60 -11.604 1.274 4.837 1.00 0.00 O ATOM 869 CB LEU A 60 -11.241 4.176 3.181 1.00 0.00 C ATOM 870 CG LEU A 60 -10.588 4.488 1.839 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.293 5.974 1.724 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.324 3.662 1.669 1.00 0.00 C ATOM 0 H LEU A 60 -13.592 4.261 2.497 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.727 2.195 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.837 5.036 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.458 4.049 3.929 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.279 4.222 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.827 6.179 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.223 6.537 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.617 6.274 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.865 3.892 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.624 3.898 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.574 2.602 1.707 1.00 0.00 H new ATOM 884 N ARG A 61 -12.813 3.048 5.511 1.00 0.00 N ATOM 885 CA ARG A 61 -12.911 2.589 6.889 1.00 0.00 C ATOM 886 C ARG A 61 -13.962 1.492 7.028 1.00 0.00 C ATOM 887 O ARG A 61 -13.910 0.684 7.955 1.00 0.00 O ATOM 888 CB ARG A 61 -13.250 3.759 7.813 1.00 0.00 C ATOM 889 CG ARG A 61 -12.248 4.900 7.742 1.00 0.00 C ATOM 890 CD ARG A 61 -11.569 5.132 9.082 1.00 0.00 C ATOM 891 NE ARG A 61 -12.298 6.096 9.903 1.00 0.00 N ATOM 892 CZ ARG A 61 -12.090 7.412 9.870 1.00 0.00 C ATOM 893 NH1 ARG A 61 -11.186 7.930 9.049 1.00 0.00 N ATOM 894 NH2 ARG A 61 -12.794 8.211 10.659 1.00 0.00 N ATOM 0 H ARG A 61 -13.280 3.936 5.326 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.945 2.175 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.239 4.139 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.304 3.397 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.495 4.678 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.756 5.812 7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.490 4.186 9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.553 5.491 8.917 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.010 5.740 10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.644 7.320 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.033 8.938 9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.493 7.818 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.637 9.219 10.636 1.00 0.00 H new ATOM 908 N ASP A 62 -14.917 1.468 6.102 1.00 0.00 N ATOM 909 CA ASP A 62 -15.978 0.470 6.127 1.00 0.00 C ATOM 910 C ASP A 62 -15.466 -0.897 5.675 1.00 0.00 C ATOM 911 O ASP A 62 -16.099 -1.919 5.939 1.00 0.00 O ATOM 912 CB ASP A 62 -17.143 0.908 5.238 1.00 0.00 C ATOM 913 CG ASP A 62 -18.245 1.592 6.023 1.00 0.00 C ATOM 914 OD1 ASP A 62 -18.053 2.760 6.422 1.00 0.00 O ATOM 915 OD2 ASP A 62 -19.300 0.960 6.238 1.00 0.00 O ATOM 0 H ASP A 62 -14.976 2.128 5.327 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.325 0.382 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.774 1.586 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.552 0.037 4.726 1.00 0.00 H new ATOM 920 N MET A 63 -14.320 -0.916 4.997 1.00 0.00 N ATOM 921 CA MET A 63 -13.745 -2.171 4.525 1.00 0.00 C ATOM 922 C MET A 63 -12.854 -2.796 5.590 1.00 0.00 C ATOM 923 O MET A 63 -12.569 -3.993 5.551 1.00 0.00 O ATOM 924 CB MET A 63 -12.932 -1.940 3.253 1.00 0.00 C ATOM 925 CG MET A 63 -13.782 -1.673 2.021 1.00 0.00 C ATOM 926 SD MET A 63 -12.796 -1.179 0.594 1.00 0.00 S ATOM 927 CE MET A 63 -11.620 -0.074 1.368 1.00 0.00 C ATOM 0 H MET A 63 -13.777 -0.085 4.765 1.00 0.00 H new ATOM 0 HA MET A 63 -14.567 -2.854 4.309 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.261 -1.095 3.410 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.307 -2.814 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.349 -2.570 1.773 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.506 -0.890 2.246 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.234 0.624 0.626 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.113 0.481 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.796 -0.653 1.784 1.00 0.00 H new ATOM 937 N GLY A 64 -12.415 -1.980 6.543 1.00 0.00 N ATOM 938 CA GLY A 64 -11.562 -2.475 7.602 1.00 0.00 C ATOM 939 C GLY A 64 -10.216 -1.780 7.640 1.00 0.00 C ATOM 940 O GLY A 64 -9.205 -2.394 7.980 1.00 0.00 O ATOM 0 H GLY A 64 -12.636 -0.986 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.063 -2.340 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.410 -3.546 7.470 1.00 0.00 H new ATOM 944 N ILE A 65 -10.197 -0.497 7.291 1.00 0.00 N ATOM 945 CA ILE A 65 -8.959 0.267 7.293 1.00 0.00 C ATOM 946 C ILE A 65 -8.827 1.105 8.563 1.00 0.00 C ATOM 947 O ILE A 65 -9.725 1.869 8.915 1.00 0.00 O ATOM 948 CB ILE A 65 -8.845 1.168 6.040 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.435 1.085 5.463 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.207 2.618 6.347 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.245 1.932 4.227 1.00 0.00 C ATOM 0 H ILE A 65 -11.021 0.031 7.005 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.140 -0.451 7.269 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.560 0.802 5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.720 1.398 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.209 0.046 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.114 3.216 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.233 2.668 6.710 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.533 3.008 7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.221 1.827 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.937 1.604 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.440 2.977 4.469 1.00 0.00 H new ATOM 963 N THR A 66 -7.703 0.945 9.250 1.00 0.00 N ATOM 964 CA THR A 66 -7.452 1.674 10.485 1.00 0.00 C ATOM 965 C THR A 66 -6.827 3.039 10.214 1.00 0.00 C ATOM 966 O THR A 66 -6.874 3.929 11.063 1.00 0.00 O ATOM 967 CB THR A 66 -6.538 0.860 11.402 1.00 0.00 C ATOM 968 OG1 THR A 66 -6.067 1.655 12.476 1.00 0.00 O ATOM 969 CG2 THR A 66 -5.332 0.294 10.685 1.00 0.00 C ATOM 0 H THR A 66 -6.950 0.316 8.972 1.00 0.00 H new ATOM 0 HA THR A 66 -8.412 1.833 10.975 1.00 0.00 H new ATOM 0 HB THR A 66 -7.149 0.034 11.765 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.485 1.116 13.052 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.723 -0.273 11.389 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.662 -0.363 9.880 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.741 1.109 10.268 1.00 0.00 H new ATOM 977 N LEU A 67 -6.234 3.207 9.032 1.00 0.00 N ATOM 978 CA LEU A 67 -5.604 4.473 8.683 1.00 0.00 C ATOM 979 C LEU A 67 -5.117 4.469 7.240 1.00 0.00 C ATOM 980 O LEU A 67 -4.524 3.498 6.769 1.00 0.00 O ATOM 981 CB LEU A 67 -4.441 4.759 9.641 1.00 0.00 C ATOM 982 CG LEU A 67 -3.466 5.867 9.215 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.471 5.343 8.189 1.00 0.00 C ATOM 984 CD2 LEU A 67 -4.219 7.075 8.671 1.00 0.00 C ATOM 0 H LEU A 67 -6.178 2.489 8.310 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.348 5.263 8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.856 5.024 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.874 3.838 9.776 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.910 6.186 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.790 6.144 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.902 4.520 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.008 4.989 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.506 7.845 8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.809 6.776 7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.881 7.469 9.442 1.00 0.00 H new ATOM 996 N HIS A 68 -5.366 5.573 6.553 1.00 0.00 N ATOM 997 CA HIS A 68 -4.954 5.733 5.165 1.00 0.00 C ATOM 998 C HIS A 68 -4.409 7.139 4.943 1.00 0.00 C ATOM 999 O HIS A 68 -5.127 8.123 5.124 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.133 5.472 4.226 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.249 6.460 4.374 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -7.499 7.458 3.454 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -8.187 6.600 5.340 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.540 8.169 3.850 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.976 7.668 4.991 1.00 0.00 N ATOM 0 H HIS A 68 -5.857 6.380 6.938 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.169 5.009 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.777 5.491 3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.519 4.470 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.295 5.986 6.222 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.962 9.016 3.329 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.770 8.018 5.527 1.00 0.00 H new ATOM 1014 N LEU A 69 -3.137 7.236 4.570 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.520 8.539 4.353 1.00 0.00 C ATOM 1016 C LEU A 69 -1.601 8.546 3.132 1.00 0.00 C ATOM 1017 O LEU A 69 -1.308 7.503 2.541 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.767 8.982 5.615 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.378 8.372 5.821 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.398 6.872 5.574 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.631 9.058 4.916 1.00 0.00 C ATOM 0 H LEU A 69 -2.520 6.439 4.413 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.317 9.254 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.665 10.067 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.380 8.739 6.483 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.081 8.531 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.601 6.465 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.093 6.398 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.717 6.676 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.616 8.617 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.334 8.928 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.668 10.121 5.153 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.170 9.748 2.759 1.00 0.00 N ATOM 1034 CA LEU A 70 -0.297 9.951 1.607 1.00 0.00 C ATOM 1035 C LEU A 70 1.173 9.899 2.000 1.00 0.00 C ATOM 1036 O LEU A 70 1.577 10.509 2.988 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.577 11.322 0.991 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.557 11.347 -0.175 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -1.568 12.731 -0.806 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -1.192 10.287 -1.204 1.00 0.00 C ATOM 0 H LEU A 70 -1.416 10.609 3.247 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.501 9.151 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.958 11.978 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.369 11.746 0.653 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.557 11.122 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.270 12.745 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.873 13.467 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.569 12.973 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.904 10.321 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.188 10.478 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.223 9.302 -0.738 1.00 0.00 H new ATOM 1052 N LEU A 71 1.987 9.213 1.203 1.00 0.00 N ATOM 1053 CA LEU A 71 3.423 9.149 1.481 1.00 0.00 C ATOM 1054 C LEU A 71 3.970 10.549 1.739 1.00 0.00 C ATOM 1055 O LEU A 71 4.961 10.727 2.446 1.00 0.00 O ATOM 1056 CB LEU A 71 4.180 8.521 0.314 1.00 0.00 C ATOM 1057 CG LEU A 71 3.658 7.168 -0.143 1.00 0.00 C ATOM 1058 CD1 LEU A 71 2.929 7.308 -1.467 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.801 6.165 -0.250 1.00 0.00 C ATOM 0 H LEU A 71 1.687 8.701 0.373 1.00 0.00 H new ATOM 0 HA LEU A 71 3.565 8.529 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.149 9.209 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.227 8.412 0.597 1.00 0.00 H new ATOM 0 HG LEU A 71 2.951 6.794 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.560 6.333 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.089 7.993 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.614 7.699 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.410 5.202 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.534 6.524 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.277 6.051 0.724 1.00 0.00 H new ATOM 1071 N HIS A 72 3.300 11.541 1.158 1.00 0.00 N ATOM 1072 CA HIS A 72 3.686 12.934 1.313 1.00 0.00 C ATOM 1073 C HIS A 72 2.899 13.583 2.441 1.00 0.00 C ATOM 1074 O HIS A 72 2.526 14.755 2.363 1.00 0.00 O ATOM 1075 CB HIS A 72 3.441 13.689 0.012 1.00 0.00 C ATOM 1076 CG HIS A 72 4.392 14.821 -0.218 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.673 15.327 -1.469 1.00 0.00 N ATOM 1078 CD2 HIS A 72 5.131 15.548 0.655 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.543 16.315 -1.357 1.00 0.00 C ATOM 1080 NE2 HIS A 72 5.836 16.470 -0.079 1.00 0.00 N ATOM 0 H HIS A 72 2.479 11.399 0.570 1.00 0.00 H new ATOM 0 HA HIS A 72 4.747 12.975 1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.514 12.991 -0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.423 14.077 0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.160 15.425 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.946 16.897 -2.173 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.481 17.162 0.301 1.00 0.00 H new ATOM 1089 N SER A 73 2.645 12.812 3.488 1.00 0.00 N ATOM 1090 CA SER A 73 1.896 13.304 4.637 1.00 0.00 C ATOM 1091 C SER A 73 2.449 12.717 5.931 1.00 0.00 C ATOM 1092 O SER A 73 3.310 11.839 5.905 1.00 0.00 O ATOM 1093 CB SER A 73 0.414 12.953 4.496 1.00 0.00 C ATOM 1094 OG SER A 73 -0.311 14.022 3.911 1.00 0.00 O ATOM 0 H SER A 73 2.947 11.841 3.566 1.00 0.00 H new ATOM 0 HA SER A 73 2.001 14.388 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.306 12.058 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.003 12.720 5.476 1.00 0.00 H new ATOM 0 HG SER A 73 -1.255 13.772 3.830 1.00 0.00 H new ATOM 1100 N ASP A 74 1.948 13.204 7.062 1.00 0.00 N ATOM 1101 CA ASP A 74 2.397 12.717 8.360 1.00 0.00 C ATOM 1102 C ASP A 74 1.798 11.348 8.659 1.00 0.00 C ATOM 1103 O ASP A 74 0.629 11.236 9.028 1.00 0.00 O ATOM 1104 CB ASP A 74 2.016 13.703 9.464 1.00 0.00 C ATOM 1105 CG ASP A 74 0.556 14.104 9.405 1.00 0.00 C ATOM 1106 OD1 ASP A 74 0.216 14.992 8.595 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -0.249 13.528 10.167 1.00 0.00 O ATOM 0 H ASP A 74 1.235 13.932 7.105 1.00 0.00 H new ATOM 0 HA ASP A 74 3.483 12.625 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.228 13.256 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.638 14.594 9.381 1.00 0.00 H new ATOM 1112 N ARG A 75 2.605 10.308 8.489 1.00 0.00 N ATOM 1113 CA ARG A 75 2.159 8.944 8.732 1.00 0.00 C ATOM 1114 C ARG A 75 1.876 8.704 10.207 1.00 0.00 C ATOM 1115 O ARG A 75 2.273 9.488 11.068 1.00 0.00 O ATOM 1116 CB ARG A 75 3.197 7.941 8.230 1.00 0.00 C ATOM 1117 CG ARG A 75 2.670 7.042 7.132 1.00 0.00 C ATOM 1118 CD ARG A 75 3.659 6.913 5.992 1.00 0.00 C ATOM 1119 NE ARG A 75 3.894 8.196 5.336 1.00 0.00 N ATOM 1120 CZ ARG A 75 4.954 8.972 5.567 1.00 0.00 C ATOM 1121 NH1 ARG A 75 5.890 8.601 6.432 1.00 0.00 N ATOM 1122 NH2 ARG A 75 5.075 10.128 4.929 1.00 0.00 N ATOM 0 H ARG A 75 3.575 10.385 8.183 1.00 0.00 H new ATOM 0 HA ARG A 75 1.230 8.801 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.068 8.482 7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.533 7.326 9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.455 6.055 7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.729 7.442 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.602 6.519 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.283 6.195 5.263 1.00 0.00 H new ATOM 0 HE ARG A 75 3.204 8.519 4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.803 7.714 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.696 9.203 6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.359 10.421 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.884 10.724 5.103 1.00 0.00 H new ATOM 1136 N ASP A 76 1.188 7.605 10.485 1.00 0.00 N ATOM 1137 CA ASP A 76 0.845 7.240 11.853 1.00 0.00 C ATOM 1138 C ASP A 76 1.627 6.003 12.285 1.00 0.00 C ATOM 1139 O ASP A 76 1.696 5.020 11.550 1.00 0.00 O ATOM 1140 CB ASP A 76 -0.658 6.979 11.974 1.00 0.00 C ATOM 1141 CG ASP A 76 -1.464 8.262 12.029 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -0.986 9.238 12.644 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -2.574 8.291 11.456 1.00 0.00 O ATOM 0 H ASP A 76 0.855 6.949 9.779 1.00 0.00 H new ATOM 0 HA ASP A 76 1.111 8.070 12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.990 6.381 11.125 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.851 6.393 12.872 1.00 0.00 H new ATOM 1148 N PRO A 77 2.240 6.034 13.481 1.00 0.00 N ATOM 1149 CA PRO A 77 3.024 4.908 13.984 1.00 0.00 C ATOM 1150 C PRO A 77 2.160 3.825 14.624 1.00 0.00 C ATOM 1151 O PRO A 77 1.603 4.018 15.704 1.00 0.00 O ATOM 1152 CB PRO A 77 3.917 5.565 15.032 1.00 0.00 C ATOM 1153 CG PRO A 77 3.098 6.690 15.568 1.00 0.00 C ATOM 1154 CD PRO A 77 2.231 7.166 14.428 1.00 0.00 C ATOM 0 HA PRO A 77 3.564 4.395 13.188 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.189 4.862 15.819 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.847 5.925 14.592 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.488 6.360 16.409 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.736 7.495 15.934 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.220 7.398 14.764 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.631 8.072 13.972 1.00 0.00 H new ATOM 1162 N ILE A 78 2.066 2.681 13.953 1.00 0.00 N ATOM 1163 CA ILE A 78 1.281 1.557 14.463 1.00 0.00 C ATOM 1164 C ILE A 78 2.033 0.242 14.277 1.00 0.00 C ATOM 1165 O ILE A 78 2.185 -0.240 13.159 1.00 0.00 O ATOM 1166 CB ILE A 78 -0.091 1.454 13.769 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -0.710 2.841 13.591 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -1.019 0.554 14.572 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.425 3.457 12.240 1.00 0.00 C ATOM 0 H ILE A 78 2.521 2.506 13.057 1.00 0.00 H new ATOM 0 HA ILE A 78 1.121 1.742 15.525 1.00 0.00 H new ATOM 0 HB ILE A 78 0.051 1.016 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.789 2.770 13.729 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.332 3.502 14.371 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.985 0.489 14.072 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.583 -0.442 14.650 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.155 0.969 15.571 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.893 4.439 12.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.652 3.560 12.107 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.828 2.816 11.456 1.00 0.00 H new ATOM 1181 N ARG A 79 2.507 -0.328 15.378 1.00 0.00 N ATOM 1182 CA ARG A 79 3.255 -1.584 15.329 1.00 0.00 C ATOM 1183 C ARG A 79 2.332 -2.794 15.423 1.00 0.00 C ATOM 1184 O ARG A 79 2.712 -3.904 15.046 1.00 0.00 O ATOM 1185 CB ARG A 79 4.291 -1.643 16.461 1.00 0.00 C ATOM 1186 CG ARG A 79 4.715 -0.282 16.988 1.00 0.00 C ATOM 1187 CD ARG A 79 5.446 0.525 15.927 1.00 0.00 C ATOM 1188 NE ARG A 79 6.576 1.266 16.484 1.00 0.00 N ATOM 1189 CZ ARG A 79 6.459 2.432 17.117 1.00 0.00 C ATOM 1190 NH1 ARG A 79 5.267 2.995 17.273 1.00 0.00 N ATOM 1191 NH2 ARG A 79 7.538 3.037 17.594 1.00 0.00 N ATOM 0 H ARG A 79 2.389 0.056 16.315 1.00 0.00 H new ATOM 0 HA ARG A 79 3.766 -1.615 14.367 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.880 -2.227 17.284 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.174 -2.173 16.103 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.836 0.269 17.324 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.361 -0.412 17.856 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.802 -0.144 15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.751 1.222 15.459 1.00 0.00 H new ATOM 0 HE ARG A 79 7.509 0.867 16.382 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.434 2.534 16.907 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.184 3.888 17.759 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.457 2.609 17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.450 3.930 18.079 1.00 0.00 H new ATOM 1205 N ASP A 80 1.127 -2.585 15.939 1.00 0.00 N ATOM 1206 CA ASP A 80 0.168 -3.675 16.091 1.00 0.00 C ATOM 1207 C ASP A 80 -0.886 -3.655 14.987 1.00 0.00 C ATOM 1208 O ASP A 80 -2.019 -4.090 15.196 1.00 0.00 O ATOM 1209 CB ASP A 80 -0.513 -3.590 17.459 1.00 0.00 C ATOM 1210 CG ASP A 80 -0.742 -4.956 18.076 1.00 0.00 C ATOM 1211 OD1 ASP A 80 -1.025 -5.909 17.321 1.00 0.00 O ATOM 1212 OD2 ASP A 80 -0.639 -5.072 19.315 1.00 0.00 O ATOM 0 H ASP A 80 0.791 -1.676 16.258 1.00 0.00 H new ATOM 0 HA ASP A 80 0.718 -4.613 16.015 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.100 -2.989 18.131 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.469 -3.076 17.355 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.517 -3.148 13.815 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.448 -3.079 12.695 1.00 0.00 C ATOM 1219 C VAL A 81 -0.725 -3.210 11.352 1.00 0.00 C ATOM 1220 O VAL A 81 0.242 -2.497 11.090 1.00 0.00 O ATOM 1221 CB VAL A 81 -2.225 -1.749 12.715 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.148 -1.631 11.506 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -3.012 -1.612 14.010 1.00 0.00 C ATOM 0 H VAL A 81 0.414 -2.781 13.617 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.141 -3.913 12.805 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.502 -0.935 12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.683 -0.682 11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.557 -1.674 10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.865 -2.452 11.514 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.555 -0.667 14.008 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.720 -2.437 14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.326 -1.634 14.857 1.00 0.00 H new ATOM 1233 N PRO A 82 -1.202 -4.113 10.472 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.604 -4.307 9.147 1.00 0.00 C ATOM 1235 C PRO A 82 -0.855 -3.103 8.247 1.00 0.00 C ATOM 1236 O PRO A 82 -1.900 -2.459 8.343 1.00 0.00 O ATOM 1237 CB PRO A 82 -1.323 -5.544 8.607 1.00 0.00 C ATOM 1238 CG PRO A 82 -2.631 -5.560 9.318 1.00 0.00 C ATOM 1239 CD PRO A 82 -2.366 -4.996 10.686 1.00 0.00 C ATOM 0 HA PRO A 82 0.479 -4.425 9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.460 -5.483 7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.753 -6.452 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.371 -4.962 8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.027 -6.573 9.384 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.225 -4.443 11.066 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.147 -5.782 11.409 1.00 0.00 H new ATOM 1247 N ALA A 83 0.104 -2.786 7.384 1.00 0.00 N ATOM 1248 CA ALA A 83 -0.037 -1.639 6.494 1.00 0.00 C ATOM 1249 C ALA A 83 0.097 -2.022 5.026 1.00 0.00 C ATOM 1250 O ALA A 83 0.701 -3.038 4.681 1.00 0.00 O ATOM 1251 CB ALA A 83 0.995 -0.581 6.842 1.00 0.00 C ATOM 0 H ALA A 83 0.979 -3.301 7.282 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.042 -1.242 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.882 0.272 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.849 -0.255 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.996 -0.999 6.732 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.460 -1.173 4.172 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.409 -1.365 2.731 1.00 0.00 C ATOM 1259 C VAL A 84 0.211 -0.138 2.083 1.00 0.00 C ATOM 1260 O VAL A 84 -0.056 0.982 2.502 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.814 -1.592 2.141 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.737 -1.845 0.642 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.512 -2.738 2.853 1.00 0.00 C ATOM 0 H VAL A 84 -0.960 -0.332 4.460 1.00 0.00 H new ATOM 0 HA VAL A 84 0.194 -2.250 2.528 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.402 -0.688 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.741 -2.003 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.285 -0.984 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.130 -2.730 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.503 -2.884 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.927 -3.650 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.607 -2.503 3.913 1.00 0.00 H new ATOM 1273 N TYR A 85 1.054 -0.343 1.082 1.00 0.00 N ATOM 1274 CA TYR A 85 1.710 0.776 0.419 1.00 0.00 C ATOM 1275 C TYR A 85 1.497 0.745 -1.094 1.00 0.00 C ATOM 1276 O TYR A 85 2.434 0.509 -1.855 1.00 0.00 O ATOM 1277 CB TYR A 85 3.205 0.760 0.733 1.00 0.00 C ATOM 1278 CG TYR A 85 3.574 1.399 2.055 1.00 0.00 C ATOM 1279 CD1 TYR A 85 3.026 0.943 3.249 1.00 0.00 C ATOM 1280 CD2 TYR A 85 4.477 2.453 2.112 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.365 1.521 4.458 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.824 3.034 3.317 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.266 2.565 4.487 1.00 0.00 C ATOM 1284 OH TYR A 85 4.607 3.141 5.689 1.00 0.00 O ATOM 0 H TYR A 85 1.299 -1.262 0.714 1.00 0.00 H new ATOM 0 HA TYR A 85 1.263 1.695 0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.553 -0.273 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.737 1.275 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.323 0.123 3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.916 2.825 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.927 1.157 5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.529 3.852 3.342 1.00 0.00 H new ATOM 0 HH TYR A 85 4.042 2.773 6.400 1.00 0.00 H new ATOM 1294 N PHE A 86 0.267 1.012 -1.528 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.039 1.041 -2.954 1.00 0.00 C ATOM 1296 C PHE A 86 0.371 2.394 -3.522 1.00 0.00 C ATOM 1297 O PHE A 86 -0.453 3.295 -3.666 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.532 0.777 -3.204 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.000 1.213 -4.564 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.255 0.912 -5.691 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.176 1.928 -4.713 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -1.676 1.314 -6.941 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -3.602 2.334 -5.962 1.00 0.00 C ATOM 1304 CZ PHE A 86 -2.850 2.026 -7.077 1.00 0.00 C ATOM 0 H PHE A 86 -0.526 1.209 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 86 0.520 0.251 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.729 -0.288 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.116 1.296 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.334 0.356 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.767 2.171 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.087 1.072 -7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.521 2.891 -6.066 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.180 2.342 -8.056 1.00 0.00 H new ATOM 1314 N VAL A 87 1.661 2.538 -3.799 1.00 0.00 N ATOM 1315 CA VAL A 87 2.197 3.796 -4.301 1.00 0.00 C ATOM 1316 C VAL A 87 2.938 3.629 -5.629 1.00 0.00 C ATOM 1317 O VAL A 87 3.082 2.521 -6.143 1.00 0.00 O ATOM 1318 CB VAL A 87 3.127 4.428 -3.248 1.00 0.00 C ATOM 1319 CG1 VAL A 87 2.428 4.459 -1.898 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.437 3.670 -3.144 1.00 0.00 C ATOM 0 H VAL A 87 2.355 1.799 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 87 1.351 4.457 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 87 3.356 5.447 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.089 4.907 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.515 5.050 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.178 3.442 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.071 4.141 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.238 2.638 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.944 3.686 -4.109 1.00 0.00 H new ATOM 1330 N MET A 88 3.387 4.750 -6.188 1.00 0.00 N ATOM 1331 CA MET A 88 4.098 4.745 -7.462 1.00 0.00 C ATOM 1332 C MET A 88 5.501 4.165 -7.317 1.00 0.00 C ATOM 1333 O MET A 88 6.120 4.274 -6.263 1.00 0.00 O ATOM 1334 CB MET A 88 4.190 6.166 -8.020 1.00 0.00 C ATOM 1335 CG MET A 88 2.858 6.728 -8.488 1.00 0.00 C ATOM 1336 SD MET A 88 2.848 7.115 -10.249 1.00 0.00 S ATOM 1337 CE MET A 88 2.255 5.569 -10.929 1.00 0.00 C ATOM 0 H MET A 88 3.270 5.676 -5.776 1.00 0.00 H new ATOM 0 HA MET A 88 3.536 4.115 -8.151 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.601 6.822 -7.253 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.891 6.174 -8.855 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.069 6.008 -8.274 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.629 7.630 -7.920 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.361 5.584 -12.014 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.838 4.744 -10.519 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.205 5.436 -10.669 1.00 0.00 H new ATOM 1347 N PRO A 89 6.024 3.540 -8.387 1.00 0.00 N ATOM 1348 CA PRO A 89 7.354 2.953 -8.391 1.00 0.00 C ATOM 1349 C PRO A 89 8.403 3.938 -8.886 1.00 0.00 C ATOM 1350 O PRO A 89 9.291 3.584 -9.663 1.00 0.00 O ATOM 1351 CB PRO A 89 7.195 1.803 -9.377 1.00 0.00 C ATOM 1352 CG PRO A 89 6.199 2.300 -10.377 1.00 0.00 C ATOM 1353 CD PRO A 89 5.361 3.358 -9.690 1.00 0.00 C ATOM 0 HA PRO A 89 7.691 2.650 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.144 1.554 -9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.841 0.900 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.704 2.716 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.571 1.483 -10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.341 4.286 -10.262 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.327 3.034 -9.571 1.00 0.00 H new ATOM 1361 N THR A 90 8.278 5.179 -8.443 1.00 0.00 N ATOM 1362 CA THR A 90 9.190 6.235 -8.840 1.00 0.00 C ATOM 1363 C THR A 90 10.369 6.331 -7.881 1.00 0.00 C ATOM 1364 O THR A 90 10.260 5.963 -6.711 1.00 0.00 O ATOM 1365 CB THR A 90 8.438 7.561 -8.888 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.286 8.100 -7.587 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.056 7.448 -9.503 1.00 0.00 C ATOM 0 H THR A 90 7.544 5.480 -7.801 1.00 0.00 H new ATOM 0 HA THR A 90 9.584 6.003 -9.829 1.00 0.00 H new ATOM 0 HB THR A 90 9.045 8.212 -9.517 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.658 8.852 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.578 8.427 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.142 7.084 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.454 6.752 -8.919 1.00 0.00 H new ATOM 1375 N GLU A 91 11.497 6.829 -8.387 1.00 0.00 N ATOM 1376 CA GLU A 91 12.712 6.979 -7.583 1.00 0.00 C ATOM 1377 C GLU A 91 12.392 7.534 -6.198 1.00 0.00 C ATOM 1378 O GLU A 91 12.876 7.027 -5.186 1.00 0.00 O ATOM 1379 CB GLU A 91 13.714 7.900 -8.285 1.00 0.00 C ATOM 1380 CG GLU A 91 13.791 7.692 -9.788 1.00 0.00 C ATOM 1381 CD GLU A 91 15.071 8.243 -10.387 1.00 0.00 C ATOM 1382 OE1 GLU A 91 15.467 9.367 -10.013 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.678 7.548 -11.229 1.00 0.00 O ATOM 0 H GLU A 91 11.596 7.137 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 91 13.154 5.989 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.442 8.936 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.703 7.741 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.720 6.627 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.936 8.173 -10.262 1.00 0.00 H new ATOM 1390 N GLU A 92 11.573 8.578 -6.164 1.00 0.00 N ATOM 1391 CA GLU A 92 11.185 9.201 -4.903 1.00 0.00 C ATOM 1392 C GLU A 92 10.428 8.208 -4.030 1.00 0.00 C ATOM 1393 O GLU A 92 10.662 8.119 -2.825 1.00 0.00 O ATOM 1394 CB GLU A 92 10.319 10.438 -5.154 1.00 0.00 C ATOM 1395 CG GLU A 92 10.762 11.262 -6.352 1.00 0.00 C ATOM 1396 CD GLU A 92 10.183 12.663 -6.342 1.00 0.00 C ATOM 1397 OE1 GLU A 92 9.008 12.817 -5.948 1.00 0.00 O ATOM 1398 OE2 GLU A 92 10.905 13.607 -6.728 1.00 0.00 O ATOM 0 H GLU A 92 11.165 9.011 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 92 12.093 9.509 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.286 10.123 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.335 11.068 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.850 11.323 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.461 10.755 -7.269 1.00 0.00 H new ATOM 1405 N ASN A 93 9.522 7.462 -4.648 1.00 0.00 N ATOM 1406 CA ASN A 93 8.731 6.471 -3.929 1.00 0.00 C ATOM 1407 C ASN A 93 9.626 5.390 -3.338 1.00 0.00 C ATOM 1408 O ASN A 93 9.366 4.882 -2.248 1.00 0.00 O ATOM 1409 CB ASN A 93 7.696 5.839 -4.856 1.00 0.00 C ATOM 1410 CG ASN A 93 6.404 6.631 -4.905 1.00 0.00 C ATOM 1411 OD1 ASN A 93 5.471 6.366 -4.146 1.00 0.00 O ATOM 1412 ND2 ASN A 93 6.342 7.611 -5.799 1.00 0.00 N ATOM 0 H ASN A 93 9.316 7.524 -5.645 1.00 0.00 H new ATOM 0 HA ASN A 93 8.214 6.979 -3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 93 8.111 5.763 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.484 4.824 -4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.498 8.178 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.139 7.797 -6.408 1.00 0.00 H new ATOM 1419 N ILE A 94 10.685 5.046 -4.063 1.00 0.00 N ATOM 1420 CA ILE A 94 11.620 4.027 -3.604 1.00 0.00 C ATOM 1421 C ILE A 94 12.236 4.430 -2.271 1.00 0.00 C ATOM 1422 O ILE A 94 12.445 3.592 -1.392 1.00 0.00 O ATOM 1423 CB ILE A 94 12.745 3.776 -4.633 1.00 0.00 C ATOM 1424 CG1 ILE A 94 12.202 3.787 -6.069 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.451 2.462 -4.337 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.902 3.028 -6.256 1.00 0.00 C ATOM 0 H ILE A 94 10.916 5.457 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 94 11.054 3.103 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 94 13.467 4.588 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.052 4.821 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.955 3.361 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.241 2.300 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.886 2.500 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.733 1.643 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.592 3.088 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.048 1.983 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.131 3.466 -5.623 1.00 0.00 H new ATOM 1438 N ASP A 95 12.510 5.722 -2.121 1.00 0.00 N ATOM 1439 CA ASP A 95 13.085 6.240 -0.888 1.00 0.00 C ATOM 1440 C ASP A 95 12.030 6.266 0.215 1.00 0.00 C ATOM 1441 O ASP A 95 12.351 6.157 1.399 1.00 0.00 O ATOM 1442 CB ASP A 95 13.647 7.646 -1.110 1.00 0.00 C ATOM 1443 CG ASP A 95 15.152 7.644 -1.298 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.684 6.637 -1.809 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.797 8.650 -0.937 1.00 0.00 O ATOM 0 H ASP A 95 12.343 6.428 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 95 13.899 5.583 -0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.175 8.089 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.391 8.275 -0.258 1.00 0.00 H new ATOM 1450 N ARG A 96 10.769 6.407 -0.187 1.00 0.00 N ATOM 1451 CA ARG A 96 9.662 6.442 0.759 1.00 0.00 C ATOM 1452 C ARG A 96 9.443 5.067 1.384 1.00 0.00 C ATOM 1453 O ARG A 96 8.965 4.958 2.513 1.00 0.00 O ATOM 1454 CB ARG A 96 8.388 6.923 0.061 1.00 0.00 C ATOM 1455 CG ARG A 96 8.538 8.299 -0.573 1.00 0.00 C ATOM 1456 CD ARG A 96 7.411 9.236 -0.166 1.00 0.00 C ATOM 1457 NE ARG A 96 7.215 9.266 1.283 1.00 0.00 N ATOM 1458 CZ ARG A 96 7.993 9.946 2.121 1.00 0.00 C ATOM 1459 NH1 ARG A 96 9.018 10.651 1.662 1.00 0.00 N ATOM 1460 NH2 ARG A 96 7.745 9.921 3.423 1.00 0.00 N ATOM 0 H ARG A 96 10.490 6.499 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 96 9.910 7.142 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.109 6.203 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.573 6.949 0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.494 8.732 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.553 8.199 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.631 10.242 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.486 8.921 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 96 6.437 8.735 1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.214 10.674 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.611 11.170 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.958 9.381 3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.341 10.442 4.066 1.00 0.00 H new ATOM 1474 N LEU A 97 9.813 4.019 0.651 1.00 0.00 N ATOM 1475 CA LEU A 97 9.673 2.657 1.147 1.00 0.00 C ATOM 1476 C LEU A 97 10.726 2.384 2.210 1.00 0.00 C ATOM 1477 O LEU A 97 10.434 1.818 3.261 1.00 0.00 O ATOM 1478 CB LEU A 97 9.810 1.651 0.002 1.00 0.00 C ATOM 1479 CG LEU A 97 8.516 1.350 -0.758 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.409 0.950 0.205 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.093 2.552 -1.588 1.00 0.00 C ATOM 0 H LEU A 97 10.211 4.089 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 97 8.682 2.546 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.549 2.028 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.202 0.717 0.405 1.00 0.00 H new ATOM 0 HG LEU A 97 8.701 0.514 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.498 0.740 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.710 0.059 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.225 1.764 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.171 2.320 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.927 3.407 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.877 2.792 -2.306 1.00 0.00 H new ATOM 1493 N CYS A 98 11.955 2.809 1.928 1.00 0.00 N ATOM 1494 CA CYS A 98 13.063 2.629 2.857 1.00 0.00 C ATOM 1495 C CYS A 98 12.894 3.529 4.073 1.00 0.00 C ATOM 1496 O CYS A 98 13.286 3.169 5.184 1.00 0.00 O ATOM 1497 CB CYS A 98 14.389 2.930 2.159 1.00 0.00 C ATOM 1498 SG CYS A 98 15.829 2.179 2.953 1.00 0.00 S ATOM 0 H CYS A 98 12.207 3.282 1.060 1.00 0.00 H new ATOM 0 HA CYS A 98 13.067 1.592 3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.332 2.580 1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.530 4.010 2.121 1.00 0.00 H new ATOM 0 HG CYS A 98 16.902 2.489 2.288 1.00 0.00 H new ATOM 1504 N GLN A 99 12.302 4.697 3.858 1.00 0.00 N ATOM 1505 CA GLN A 99 12.075 5.641 4.942 1.00 0.00 C ATOM 1506 C GLN A 99 10.977 5.133 5.868 1.00 0.00 C ATOM 1507 O GLN A 99 11.069 5.270 7.086 1.00 0.00 O ATOM 1508 CB GLN A 99 11.697 7.016 4.381 1.00 0.00 C ATOM 1509 CG GLN A 99 12.779 8.067 4.571 1.00 0.00 C ATOM 1510 CD GLN A 99 12.548 8.926 5.798 1.00 0.00 C ATOM 1511 OE1 GLN A 99 12.406 10.145 5.700 1.00 0.00 O ATOM 1512 NE2 GLN A 99 12.509 8.293 6.965 1.00 0.00 N ATOM 0 H GLN A 99 11.972 5.012 2.946 1.00 0.00 H new ATOM 0 HA GLN A 99 12.998 5.737 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.479 6.918 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.781 7.357 4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.748 7.575 4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.820 8.705 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.631 7.281 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.357 8.819 7.826 1.00 0.00 H new ATOM 1521 N ASP A 100 9.940 4.542 5.281 1.00 0.00 N ATOM 1522 CA ASP A 100 8.825 4.012 6.057 1.00 0.00 C ATOM 1523 C ASP A 100 9.134 2.609 6.575 1.00 0.00 C ATOM 1524 O ASP A 100 8.670 2.216 7.645 1.00 0.00 O ATOM 1525 CB ASP A 100 7.555 3.986 5.205 1.00 0.00 C ATOM 1526 CG ASP A 100 6.949 5.364 5.025 1.00 0.00 C ATOM 1527 OD1 ASP A 100 6.788 6.078 6.036 1.00 0.00 O ATOM 1528 OD2 ASP A 100 6.635 5.729 3.873 1.00 0.00 O ATOM 0 H ASP A 100 9.849 4.419 4.273 1.00 0.00 H new ATOM 0 HA ASP A 100 8.669 4.666 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.786 3.563 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.822 3.328 5.671 1.00 0.00 H new ATOM 1533 N LEU A 101 9.916 1.857 5.806 1.00 0.00 N ATOM 1534 CA LEU A 101 10.279 0.496 6.186 1.00 0.00 C ATOM 1535 C LEU A 101 11.262 0.487 7.353 1.00 0.00 C ATOM 1536 O LEU A 101 11.297 -0.463 8.135 1.00 0.00 O ATOM 1537 CB LEU A 101 10.883 -0.250 4.995 1.00 0.00 C ATOM 1538 CG LEU A 101 9.868 -0.796 3.988 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.571 -1.308 2.738 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.035 -1.898 4.623 1.00 0.00 C ATOM 0 H LEU A 101 10.310 2.167 4.917 1.00 0.00 H new ATOM 0 HA LEU A 101 9.367 -0.011 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.564 0.422 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.481 -1.080 5.371 1.00 0.00 H new ATOM 0 HG LEU A 101 9.203 0.016 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.831 -1.692 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.125 -0.493 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.261 -2.107 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.317 -2.277 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.689 -2.709 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.501 -1.499 5.485 1.00 0.00 H new ATOM 1552 N ARG A 102 12.060 1.542 7.466 1.00 0.00 N ATOM 1553 CA ARG A 102 13.041 1.640 8.540 1.00 0.00 C ATOM 1554 C ARG A 102 12.394 2.167 9.816 1.00 0.00 C ATOM 1555 O ARG A 102 12.723 1.730 10.919 1.00 0.00 O ATOM 1556 CB ARG A 102 14.197 2.553 8.125 1.00 0.00 C ATOM 1557 CG ARG A 102 15.359 1.811 7.487 1.00 0.00 C ATOM 1558 CD ARG A 102 16.120 2.697 6.515 1.00 0.00 C ATOM 1559 NE ARG A 102 16.611 3.916 7.154 1.00 0.00 N ATOM 1560 CZ ARG A 102 17.325 4.846 6.524 1.00 0.00 C ATOM 1561 NH1 ARG A 102 17.634 4.701 5.242 1.00 0.00 N ATOM 1562 NH2 ARG A 102 17.732 5.925 7.180 1.00 0.00 N ATOM 0 H ARG A 102 12.047 2.339 6.830 1.00 0.00 H new ATOM 0 HA ARG A 102 13.431 0.641 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.825 3.300 7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.558 3.090 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.036 1.456 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 102 14.986 0.931 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.961 2.141 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 102 15.470 2.962 5.681 1.00 0.00 H new ATOM 0 HE ARG A 102 16.394 4.063 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 102 17.324 3.873 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 102 18.181 5.417 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.498 6.041 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.279 6.638 6.698 1.00 0.00 H new ATOM 1576 N ASN A 103 11.470 3.109 9.658 1.00 0.00 N ATOM 1577 CA ASN A 103 10.773 3.696 10.795 1.00 0.00 C ATOM 1578 C ASN A 103 9.907 2.657 11.499 1.00 0.00 C ATOM 1579 O ASN A 103 9.603 2.789 12.684 1.00 0.00 O ATOM 1580 CB ASN A 103 9.899 4.865 10.339 1.00 0.00 C ATOM 1581 CG ASN A 103 10.711 6.024 9.798 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.851 6.244 10.205 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.124 6.773 8.871 1.00 0.00 N ATOM 0 H ASN A 103 11.187 3.482 8.752 1.00 0.00 H new ATOM 0 HA ASN A 103 11.524 4.059 11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.209 4.519 9.569 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.294 5.210 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.621 7.567 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.177 6.554 8.563 1.00 0.00 H new ATOM 1590 N GLN A 104 9.499 1.629 10.759 1.00 0.00 N ATOM 1591 CA GLN A 104 8.655 0.579 11.316 1.00 0.00 C ATOM 1592 C GLN A 104 7.303 1.153 11.718 1.00 0.00 C ATOM 1593 O GLN A 104 6.681 0.700 12.680 1.00 0.00 O ATOM 1594 CB GLN A 104 9.332 -0.067 12.527 1.00 0.00 C ATOM 1595 CG GLN A 104 10.767 -0.497 12.265 1.00 0.00 C ATOM 1596 CD GLN A 104 11.127 -1.790 12.970 1.00 0.00 C ATOM 1597 OE1 GLN A 104 11.198 -2.877 12.213 1.00 0.00 O flip ATOM 1598 NE2 GLN A 104 11.339 -1.810 14.182 1.00 0.00 N flip ATOM 0 H GLN A 104 9.739 1.502 9.776 1.00 0.00 H new ATOM 0 HA GLN A 104 8.504 -0.185 10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.319 0.637 13.359 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.752 -0.936 12.836 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.915 -0.619 11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.444 0.292 12.593 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.273 -0.949 14.726 1.00 0.00 H new ATOM 0 HE22 GLN A 104 11.581 -2.687 14.643 1.00 0.00 H new ATOM 1607 N LEU A 105 6.859 2.163 10.975 1.00 0.00 N ATOM 1608 CA LEU A 105 5.585 2.818 11.244 1.00 0.00 C ATOM 1609 C LEU A 105 4.436 1.815 11.254 1.00 0.00 C ATOM 1610 O LEU A 105 3.429 2.025 11.926 1.00 0.00 O ATOM 1611 CB LEU A 105 5.317 3.907 10.199 1.00 0.00 C ATOM 1612 CG LEU A 105 6.372 5.012 10.135 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.294 5.745 8.806 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.197 5.982 11.295 1.00 0.00 C ATOM 0 H LEU A 105 7.367 2.546 10.178 1.00 0.00 H new ATOM 0 HA LEU A 105 5.647 3.274 12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.243 3.438 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.349 4.361 10.409 1.00 0.00 H new ATOM 0 HG LEU A 105 7.358 4.555 10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.052 6.528 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.468 5.042 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.306 6.192 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.956 6.762 11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.207 6.434 11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.303 5.445 12.238 1.00 0.00 H new ATOM 1626 N TYR A 106 4.583 0.732 10.500 1.00 0.00 N ATOM 1627 CA TYR A 106 3.539 -0.282 10.428 1.00 0.00 C ATOM 1628 C TYR A 106 4.124 -1.692 10.393 1.00 0.00 C ATOM 1629 O TYR A 106 5.152 -1.938 9.761 1.00 0.00 O ATOM 1630 CB TYR A 106 2.651 -0.024 9.212 1.00 0.00 C ATOM 1631 CG TYR A 106 2.172 1.409 9.140 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.039 2.425 8.771 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.862 1.748 9.456 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.621 3.738 8.720 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.435 3.064 9.405 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.320 4.055 9.038 1.00 0.00 C ATOM 1637 OH TYR A 106 0.899 5.366 8.983 1.00 0.00 O ATOM 0 H TYR A 106 5.408 0.534 9.934 1.00 0.00 H new ATOM 0 HA TYR A 106 2.931 -0.213 11.330 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.204 -0.265 8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.789 -0.691 9.247 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.061 2.184 8.519 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.167 0.974 9.746 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.313 4.516 8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.587 3.313 9.652 1.00 0.00 H new ATOM 0 HH TYR A 106 0.281 5.480 8.231 1.00 0.00 H new ATOM 1647 N GLU A 107 3.463 -2.611 11.097 1.00 0.00 N ATOM 1648 CA GLU A 107 3.909 -4.000 11.177 1.00 0.00 C ATOM 1649 C GLU A 107 4.124 -4.611 9.795 1.00 0.00 C ATOM 1650 O GLU A 107 5.160 -5.224 9.533 1.00 0.00 O ATOM 1651 CB GLU A 107 2.893 -4.834 11.956 1.00 0.00 C ATOM 1652 CG GLU A 107 3.407 -6.209 12.350 1.00 0.00 C ATOM 1653 CD GLU A 107 3.919 -6.252 13.777 1.00 0.00 C ATOM 1654 OE1 GLU A 107 3.086 -6.346 14.703 1.00 0.00 O ATOM 1655 OE2 GLU A 107 5.151 -6.193 13.968 1.00 0.00 O ATOM 0 H GLU A 107 2.611 -2.415 11.623 1.00 0.00 H new ATOM 0 HA GLU A 107 4.867 -4.005 11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.605 -4.292 12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.993 -4.951 11.352 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.607 -6.940 12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.208 -6.502 11.671 1.00 0.00 H new ATOM 1662 N SER A 108 3.142 -4.451 8.915 1.00 0.00 N ATOM 1663 CA SER A 108 3.233 -4.996 7.566 1.00 0.00 C ATOM 1664 C SER A 108 3.405 -3.883 6.541 1.00 0.00 C ATOM 1665 O SER A 108 3.317 -2.703 6.875 1.00 0.00 O ATOM 1666 CB SER A 108 1.987 -5.823 7.238 1.00 0.00 C ATOM 1667 OG SER A 108 1.916 -6.113 5.853 1.00 0.00 O ATOM 0 H SER A 108 2.276 -3.949 9.111 1.00 0.00 H new ATOM 0 HA SER A 108 4.109 -5.644 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.004 -6.753 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.094 -5.278 7.545 1.00 0.00 H new ATOM 0 HG SER A 108 1.112 -6.643 5.671 1.00 0.00 H new ATOM 1673 N TYR A 109 3.657 -4.263 5.293 1.00 0.00 N ATOM 1674 CA TYR A 109 3.846 -3.290 4.225 1.00 0.00 C ATOM 1675 C TYR A 109 3.416 -3.851 2.872 1.00 0.00 C ATOM 1676 O TYR A 109 4.246 -4.085 1.993 1.00 0.00 O ATOM 1677 CB TYR A 109 5.311 -2.852 4.165 1.00 0.00 C ATOM 1678 CG TYR A 109 5.783 -2.143 5.414 1.00 0.00 C ATOM 1679 CD1 TYR A 109 5.617 -0.771 5.560 1.00 0.00 C ATOM 1680 CD2 TYR A 109 6.394 -2.844 6.445 1.00 0.00 C ATOM 1681 CE1 TYR A 109 6.048 -0.119 6.701 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.826 -2.199 7.588 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.651 -0.837 7.710 1.00 0.00 C ATOM 1684 OH TYR A 109 7.079 -0.191 8.847 1.00 0.00 O ATOM 0 H TYR A 109 3.735 -5.236 4.997 1.00 0.00 H new ATOM 0 HA TYR A 109 3.217 -2.428 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.937 -3.728 3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.449 -2.192 3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.144 -0.205 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.534 -3.911 6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.912 0.948 6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.298 -2.759 8.382 1.00 0.00 H new ATOM 0 HH TYR A 109 7.602 0.599 8.597 1.00 0.00 H new ATOM 1694 N TYR A 110 2.112 -4.047 2.702 1.00 0.00 N ATOM 1695 CA TYR A 110 1.573 -4.557 1.445 1.00 0.00 C ATOM 1696 C TYR A 110 1.877 -3.570 0.322 1.00 0.00 C ATOM 1697 O TYR A 110 1.071 -2.694 0.019 1.00 0.00 O ATOM 1698 CB TYR A 110 0.061 -4.770 1.572 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.547 -5.605 0.466 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.515 -5.178 -0.855 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.162 -6.820 0.748 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.078 -5.935 -1.864 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.727 -7.583 -0.256 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.683 -7.137 -1.559 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.244 -7.894 -2.562 1.00 0.00 O ATOM 0 H TYR A 110 1.409 -3.861 3.418 1.00 0.00 H new ATOM 0 HA TYR A 110 2.040 -5.514 1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.147 -5.249 2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.431 -3.797 1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.042 -4.238 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.199 -7.173 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.045 -5.588 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.201 -8.524 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.627 -8.711 -2.180 1.00 0.00 H new ATOM 1715 N LEU A 111 3.056 -3.699 -0.276 1.00 0.00 N ATOM 1716 CA LEU A 111 3.470 -2.797 -1.344 1.00 0.00 C ATOM 1717 C LEU A 111 2.722 -3.080 -2.641 1.00 0.00 C ATOM 1718 O LEU A 111 2.320 -4.210 -2.912 1.00 0.00 O ATOM 1719 CB LEU A 111 4.982 -2.900 -1.570 1.00 0.00 C ATOM 1720 CG LEU A 111 5.837 -2.786 -0.305 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.318 -2.758 -0.655 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.463 -1.545 0.481 1.00 0.00 C ATOM 0 H LEU A 111 3.740 -4.418 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 111 3.223 -1.782 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.198 -3.854 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.284 -2.117 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 111 5.644 -3.663 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.906 -2.677 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.586 -3.676 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.524 -1.901 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.081 -1.481 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.625 -0.661 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.413 -1.599 0.768 1.00 0.00 H new ATOM 1734 N ASN A 112 2.542 -2.032 -3.439 1.00 0.00 N ATOM 1735 CA ASN A 112 1.848 -2.138 -4.718 1.00 0.00 C ATOM 1736 C ASN A 112 2.209 -0.957 -5.608 1.00 0.00 C ATOM 1737 O ASN A 112 1.858 0.186 -5.316 1.00 0.00 O ATOM 1738 CB ASN A 112 0.333 -2.198 -4.503 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.388 -2.870 -5.655 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.032 -2.682 -6.818 1.00 0.00 O ATOM 1741 ND2 ASN A 112 -1.410 -3.655 -5.336 1.00 0.00 N ATOM 0 H ASN A 112 2.870 -1.092 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 112 2.162 -3.059 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.121 -2.738 -3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.054 -1.187 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.935 -4.131 -6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.670 -3.782 -4.358 1.00 0.00 H new ATOM 1748 N PHE A 113 2.928 -1.239 -6.688 1.00 0.00 N ATOM 1749 CA PHE A 113 3.356 -0.199 -7.612 1.00 0.00 C ATOM 1750 C PHE A 113 2.367 -0.026 -8.759 1.00 0.00 C ATOM 1751 O PHE A 113 1.900 -1.001 -9.345 1.00 0.00 O ATOM 1752 CB PHE A 113 4.744 -0.526 -8.161 1.00 0.00 C ATOM 1753 CG PHE A 113 5.823 -0.487 -7.115 1.00 0.00 C ATOM 1754 CD1 PHE A 113 6.007 0.644 -6.335 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.649 -1.580 -6.909 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.996 0.684 -5.370 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.640 -1.546 -5.945 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.813 -0.413 -5.176 1.00 0.00 C ATOM 0 H PHE A 113 3.226 -2.180 -6.944 1.00 0.00 H new ATOM 0 HA PHE A 113 3.396 0.741 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.723 -1.517 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.990 0.182 -8.953 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.370 1.504 -6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.517 -2.469 -7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.130 1.571 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.278 -2.405 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.587 -0.384 -4.423 1.00 0.00 H new ATOM 1768 N ILE A 114 2.060 1.228 -9.078 1.00 0.00 N ATOM 1769 CA ILE A 114 1.128 1.529 -10.172 1.00 0.00 C ATOM 1770 C ILE A 114 1.806 1.346 -11.532 1.00 0.00 C ATOM 1771 O ILE A 114 1.138 1.148 -12.546 1.00 0.00 O ATOM 1772 CB ILE A 114 0.534 2.964 -10.115 1.00 0.00 C ATOM 1773 CG1 ILE A 114 1.020 3.749 -8.892 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -0.987 2.905 -10.136 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.430 3.277 -7.582 1.00 0.00 C ATOM 0 H ILE A 114 2.436 2.048 -8.603 1.00 0.00 H new ATOM 0 HA ILE A 114 0.308 0.823 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 114 0.888 3.495 -10.998 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.106 3.678 -8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.776 4.803 -9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.391 3.917 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.320 2.418 -11.053 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.341 2.338 -9.275 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.824 3.883 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.655 3.375 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.695 2.232 -7.419 1.00 0.00 H new ATOM 1787 N SER A 115 3.134 1.421 -11.548 1.00 0.00 N ATOM 1788 CA SER A 115 3.894 1.268 -12.783 1.00 0.00 C ATOM 1789 C SER A 115 4.746 0.003 -12.742 1.00 0.00 C ATOM 1790 O SER A 115 4.831 -0.666 -11.712 1.00 0.00 O ATOM 1791 CB SER A 115 4.785 2.493 -13.014 1.00 0.00 C ATOM 1792 OG SER A 115 4.418 3.173 -14.202 1.00 0.00 O ATOM 0 H SER A 115 3.705 1.587 -10.719 1.00 0.00 H new ATOM 0 HA SER A 115 3.188 1.182 -13.609 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.705 3.170 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.828 2.182 -13.077 1.00 0.00 H new ATOM 0 HG SER A 115 5.000 3.952 -14.326 1.00 0.00 H new ATOM 1798 N ALA A 116 5.370 -0.322 -13.868 1.00 0.00 N ATOM 1799 CA ALA A 116 6.211 -1.510 -13.960 1.00 0.00 C ATOM 1800 C ALA A 116 7.625 -1.231 -13.461 1.00 0.00 C ATOM 1801 O ALA A 116 8.530 -0.960 -14.251 1.00 0.00 O ATOM 1802 CB ALA A 116 6.245 -2.018 -15.394 1.00 0.00 C ATOM 0 H ALA A 116 5.310 0.220 -14.730 1.00 0.00 H new ATOM 0 HA ALA A 116 5.779 -2.279 -13.320 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.876 -2.905 -15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.234 -2.270 -15.715 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.649 -1.243 -16.045 1.00 0.00 H new ATOM 1808 N ILE A 117 7.811 -1.306 -12.146 1.00 0.00 N ATOM 1809 CA ILE A 117 9.120 -1.068 -11.545 1.00 0.00 C ATOM 1810 C ILE A 117 10.139 -2.087 -12.056 1.00 0.00 C ATOM 1811 O ILE A 117 9.770 -3.140 -12.574 1.00 0.00 O ATOM 1812 CB ILE A 117 9.048 -1.129 -10.004 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.429 -0.874 -9.387 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.490 -2.470 -9.552 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.396 -0.647 -7.890 1.00 0.00 C ATOM 0 H ILE A 117 7.074 -1.529 -11.477 1.00 0.00 H new ATOM 0 HA ILE A 117 9.439 -0.067 -11.836 1.00 0.00 H new ATOM 0 HB ILE A 117 8.375 -0.345 -9.657 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.076 -1.725 -9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.876 -0.004 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.446 -2.497 -8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.488 -2.603 -9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.136 -3.272 -9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.409 -0.474 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.777 0.222 -7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.979 -1.526 -7.398 1.00 0.00 H new ATOM 1827 N SER A 118 11.422 -1.764 -11.916 1.00 0.00 N ATOM 1828 CA SER A 118 12.489 -2.648 -12.377 1.00 0.00 C ATOM 1829 C SER A 118 13.156 -3.371 -11.211 1.00 0.00 C ATOM 1830 O SER A 118 13.078 -2.928 -10.065 1.00 0.00 O ATOM 1831 CB SER A 118 13.536 -1.852 -13.159 1.00 0.00 C ATOM 1832 OG SER A 118 13.991 -0.737 -12.413 1.00 0.00 O ATOM 0 H SER A 118 11.748 -0.898 -11.488 1.00 0.00 H new ATOM 0 HA SER A 118 12.040 -3.396 -13.030 1.00 0.00 H new ATOM 0 HB2 SER A 118 14.379 -2.498 -13.405 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.109 -1.512 -14.103 1.00 0.00 H new ATOM 0 HG SER A 118 14.660 -0.246 -12.934 1.00 0.00 H new ATOM 1838 N ARG A 119 13.815 -4.489 -11.514 1.00 0.00 N ATOM 1839 CA ARG A 119 14.498 -5.279 -10.494 1.00 0.00 C ATOM 1840 C ARG A 119 15.447 -4.412 -9.671 1.00 0.00 C ATOM 1841 O ARG A 119 15.601 -4.615 -8.467 1.00 0.00 O ATOM 1842 CB ARG A 119 15.268 -6.432 -11.140 1.00 0.00 C ATOM 1843 CG ARG A 119 16.247 -5.989 -12.215 1.00 0.00 C ATOM 1844 CD ARG A 119 17.402 -6.968 -12.352 1.00 0.00 C ATOM 1845 NE ARG A 119 17.081 -8.071 -13.256 1.00 0.00 N ATOM 1846 CZ ARG A 119 17.738 -9.228 -13.276 1.00 0.00 C ATOM 1847 NH1 ARG A 119 18.751 -9.439 -12.445 1.00 0.00 N ATOM 1848 NH2 ARG A 119 17.380 -10.179 -14.128 1.00 0.00 N ATOM 0 H ARG A 119 13.889 -4.867 -12.458 1.00 0.00 H new ATOM 0 HA ARG A 119 13.741 -5.688 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.813 -6.972 -10.366 1.00 0.00 H new ATOM 0 HB3 ARG A 119 14.556 -7.133 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 119 15.727 -5.902 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 119 16.634 -5.000 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 119 18.282 -6.441 -12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 119 17.658 -7.367 -11.370 1.00 0.00 H new ATOM 0 HE ARG A 119 16.308 -7.946 -13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 119 19.030 -8.712 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 119 19.251 -10.328 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 119 16.601 -10.024 -14.768 1.00 0.00 H new ATOM 0 HH22 ARG A 119 17.884 -11.066 -14.143 1.00 0.00 H new ATOM 1862 N SER A 120 16.076 -3.441 -10.327 1.00 0.00 N ATOM 1863 CA SER A 120 17.001 -2.543 -9.649 1.00 0.00 C ATOM 1864 C SER A 120 16.273 -1.748 -8.573 1.00 0.00 C ATOM 1865 O SER A 120 16.596 -1.842 -7.387 1.00 0.00 O ATOM 1866 CB SER A 120 17.655 -1.590 -10.652 1.00 0.00 C ATOM 1867 OG SER A 120 18.308 -0.522 -9.990 1.00 0.00 O ATOM 0 H SER A 120 15.962 -3.258 -11.324 1.00 0.00 H new ATOM 0 HA SER A 120 17.780 -3.143 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 120 18.373 -2.137 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.898 -1.194 -11.329 1.00 0.00 H new ATOM 0 HG SER A 120 18.719 0.071 -10.653 1.00 0.00 H new ATOM 1873 N LYS A 121 15.278 -0.975 -8.993 1.00 0.00 N ATOM 1874 CA LYS A 121 14.492 -0.173 -8.066 1.00 0.00 C ATOM 1875 C LYS A 121 13.800 -1.069 -7.046 1.00 0.00 C ATOM 1876 O LYS A 121 13.692 -0.722 -5.871 1.00 0.00 O ATOM 1877 CB LYS A 121 13.453 0.656 -8.825 1.00 0.00 C ATOM 1878 CG LYS A 121 14.045 1.848 -9.558 1.00 0.00 C ATOM 1879 CD LYS A 121 13.071 3.014 -9.602 1.00 0.00 C ATOM 1880 CE LYS A 121 12.054 2.851 -10.721 1.00 0.00 C ATOM 1881 NZ LYS A 121 12.711 2.704 -12.050 1.00 0.00 N ATOM 0 H LYS A 121 14.997 -0.887 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 121 15.165 0.505 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.943 0.015 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.699 1.010 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.965 2.160 -9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.311 1.556 -10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.552 3.092 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.622 3.944 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.434 1.977 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.390 3.715 -10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.063 3.029 -12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.580 3.275 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.950 1.705 -12.211 1.00 0.00 H new ATOM 1895 N LEU A 122 13.337 -2.228 -7.505 1.00 0.00 N ATOM 1896 CA LEU A 122 12.658 -3.179 -6.632 1.00 0.00 C ATOM 1897 C LEU A 122 13.574 -3.624 -5.499 1.00 0.00 C ATOM 1898 O LEU A 122 13.159 -3.695 -4.342 1.00 0.00 O ATOM 1899 CB LEU A 122 12.189 -4.391 -7.430 1.00 0.00 C ATOM 1900 CG LEU A 122 10.818 -4.226 -8.084 1.00 0.00 C ATOM 1901 CD1 LEU A 122 10.898 -4.511 -9.571 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.787 -5.121 -7.417 1.00 0.00 C ATOM 0 H LEU A 122 13.420 -2.531 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 122 11.790 -2.682 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.924 -4.606 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.160 -5.257 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 122 10.501 -3.192 -7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.912 -4.388 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.597 -3.817 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.243 -5.533 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.820 -4.985 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.095 -6.162 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.705 -4.859 -6.362 1.00 0.00 H new ATOM 1914 N GLU A 123 14.826 -3.918 -5.841 1.00 0.00 N ATOM 1915 CA GLU A 123 15.806 -4.351 -4.852 1.00 0.00 C ATOM 1916 C GLU A 123 15.925 -3.325 -3.731 1.00 0.00 C ATOM 1917 O GLU A 123 16.092 -3.681 -2.564 1.00 0.00 O ATOM 1918 CB GLU A 123 17.169 -4.567 -5.515 1.00 0.00 C ATOM 1919 CG GLU A 123 17.529 -6.032 -5.701 1.00 0.00 C ATOM 1920 CD GLU A 123 18.816 -6.222 -6.478 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.838 -5.615 -6.093 1.00 0.00 O ATOM 1922 OE2 GLU A 123 18.803 -6.978 -7.473 1.00 0.00 O ATOM 0 H GLU A 123 15.184 -3.864 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 123 15.469 -5.295 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.173 -4.074 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.938 -4.086 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.626 -6.505 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.716 -6.539 -6.222 1.00 0.00 H new ATOM 1929 N ASP A 124 15.830 -2.050 -4.093 1.00 0.00 N ATOM 1930 CA ASP A 124 15.919 -0.971 -3.117 1.00 0.00 C ATOM 1931 C ASP A 124 14.828 -1.113 -2.061 1.00 0.00 C ATOM 1932 O ASP A 124 15.108 -1.116 -0.862 1.00 0.00 O ATOM 1933 CB ASP A 124 15.802 0.386 -3.811 1.00 0.00 C ATOM 1934 CG ASP A 124 16.946 0.646 -4.772 1.00 0.00 C ATOM 1935 OD1 ASP A 124 18.101 0.328 -4.419 1.00 0.00 O ATOM 1936 OD2 ASP A 124 16.687 1.165 -5.878 1.00 0.00 O ATOM 0 H ASP A 124 15.691 -1.739 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 124 16.890 -1.033 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 124 14.858 0.433 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.777 1.174 -3.059 1.00 0.00 H new ATOM 1941 N ILE A 125 13.583 -1.235 -2.513 1.00 0.00 N ATOM 1942 CA ILE A 125 12.454 -1.383 -1.604 1.00 0.00 C ATOM 1943 C ILE A 125 12.544 -2.702 -0.841 1.00 0.00 C ATOM 1944 O ILE A 125 12.287 -2.755 0.364 1.00 0.00 O ATOM 1945 CB ILE A 125 11.108 -1.312 -2.354 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.910 0.080 -2.951 1.00 0.00 C ATOM 1947 CG2 ILE A 125 9.956 -1.648 -1.421 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.395 0.200 -4.374 1.00 0.00 C ATOM 0 H ILE A 125 13.332 -1.234 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 125 12.499 -0.554 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 125 11.125 -2.045 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.851 0.335 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.435 0.809 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.016 -1.592 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.088 -2.656 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.937 -0.937 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.223 1.215 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.461 -0.023 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.852 -0.505 -5.004 1.00 0.00 H new ATOM 1960 N ALA A 126 12.922 -3.769 -1.542 1.00 0.00 N ATOM 1961 CA ALA A 126 13.053 -5.075 -0.916 1.00 0.00 C ATOM 1962 C ALA A 126 14.020 -4.994 0.252 1.00 0.00 C ATOM 1963 O ALA A 126 13.734 -5.478 1.346 1.00 0.00 O ATOM 1964 CB ALA A 126 13.525 -6.110 -1.926 1.00 0.00 C ATOM 0 H ALA A 126 13.141 -3.752 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 126 12.076 -5.384 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.617 -7.080 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.803 -6.180 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.494 -5.812 -2.326 1.00 0.00 H new ATOM 1970 N ASN A 127 15.162 -4.359 0.012 1.00 0.00 N ATOM 1971 CA ASN A 127 16.173 -4.193 1.043 1.00 0.00 C ATOM 1972 C ASN A 127 15.753 -3.117 2.030 1.00 0.00 C ATOM 1973 O ASN A 127 16.116 -3.166 3.206 1.00 0.00 O ATOM 1974 CB ASN A 127 17.527 -3.846 0.423 1.00 0.00 C ATOM 1975 CG ASN A 127 18.271 -5.072 -0.064 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.212 -5.539 0.579 1.00 0.00 O ATOM 1977 ND2 ASN A 127 17.855 -5.603 -1.209 1.00 0.00 N ATOM 0 H ASN A 127 15.408 -3.951 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 127 16.273 -5.137 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.376 -3.161 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.137 -3.323 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.319 -6.429 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 127 17.071 -5.185 -1.710 1.00 0.00 H new ATOM 1984 N ALA A 128 14.967 -2.155 1.556 1.00 0.00 N ATOM 1985 CA ALA A 128 14.483 -1.086 2.416 1.00 0.00 C ATOM 1986 C ALA A 128 13.878 -1.672 3.686 1.00 0.00 C ATOM 1987 O ALA A 128 13.968 -1.085 4.764 1.00 0.00 O ATOM 1988 CB ALA A 128 13.458 -0.242 1.675 1.00 0.00 C ATOM 0 H ALA A 128 14.654 -2.096 0.587 1.00 0.00 H new ATOM 0 HA ALA A 128 15.320 -0.446 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.102 0.555 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.918 0.194 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.618 -0.869 1.377 1.00 0.00 H new ATOM 1994 N ALA A 129 13.267 -2.845 3.541 1.00 0.00 N ATOM 1995 CA ALA A 129 12.647 -3.535 4.663 1.00 0.00 C ATOM 1996 C ALA A 129 13.663 -4.405 5.392 1.00 0.00 C ATOM 1997 O ALA A 129 13.640 -4.508 6.617 1.00 0.00 O ATOM 1998 CB ALA A 129 11.475 -4.378 4.183 1.00 0.00 C ATOM 0 H ALA A 129 13.189 -3.338 2.651 1.00 0.00 H new ATOM 0 HA ALA A 129 12.276 -2.786 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.021 -4.888 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 129 10.734 -3.735 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.829 -5.116 3.463 1.00 0.00 H new ATOM 2004 N LEU A 130 14.554 -5.030 4.629 1.00 0.00 N ATOM 2005 CA LEU A 130 15.582 -5.894 5.199 1.00 0.00 C ATOM 2006 C LEU A 130 16.386 -5.157 6.264 1.00 0.00 C ATOM 2007 O LEU A 130 16.884 -5.766 7.211 1.00 0.00 O ATOM 2008 CB LEU A 130 16.505 -6.406 4.094 1.00 0.00 C ATOM 2009 CG LEU A 130 15.799 -7.194 2.989 1.00 0.00 C ATOM 2010 CD1 LEU A 130 16.750 -7.483 1.834 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.218 -8.482 3.548 1.00 0.00 C ATOM 0 H LEU A 130 14.585 -4.954 3.612 1.00 0.00 H new ATOM 0 HA LEU A 130 15.093 -6.744 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.019 -5.556 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.270 -7.040 4.542 1.00 0.00 H new ATOM 0 HG LEU A 130 14.981 -6.586 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.224 -8.044 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.112 -6.543 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 130 17.595 -8.069 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.719 -9.032 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.020 -9.093 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.498 -8.246 4.332 1.00 0.00 H new ATOM 2023 N ALA A 131 16.499 -3.843 6.111 1.00 0.00 N ATOM 2024 CA ALA A 131 17.231 -3.026 7.070 1.00 0.00 C ATOM 2025 C ALA A 131 16.491 -2.973 8.400 1.00 0.00 C ATOM 2026 O ALA A 131 17.103 -2.846 9.461 1.00 0.00 O ATOM 2027 CB ALA A 131 17.435 -1.623 6.520 1.00 0.00 C ATOM 0 H ALA A 131 16.094 -3.322 5.334 1.00 0.00 H new ATOM 0 HA ALA A 131 18.208 -3.480 7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 131 17.983 -1.023 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 131 18.003 -1.675 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.466 -1.163 6.328 1.00 0.00 H new ATOM 2033 N ALA A 132 15.167 -3.073 8.334 1.00 0.00 N ATOM 2034 CA ALA A 132 14.333 -3.040 9.530 1.00 0.00 C ATOM 2035 C ALA A 132 13.589 -4.360 9.731 1.00 0.00 C ATOM 2036 O ALA A 132 12.691 -4.449 10.568 1.00 0.00 O ATOM 2037 CB ALA A 132 13.346 -1.886 9.446 1.00 0.00 C ATOM 0 H ALA A 132 14.648 -3.178 7.462 1.00 0.00 H new ATOM 0 HA ALA A 132 14.985 -2.893 10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 132 12.728 -1.870 10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 132 13.892 -0.946 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.710 -2.014 8.570 1.00 0.00 H new ATOM 2043 N ASN A 133 13.959 -5.380 8.953 1.00 0.00 N ATOM 2044 CA ASN A 133 13.324 -6.694 9.039 1.00 0.00 C ATOM 2045 C ASN A 133 11.806 -6.570 9.062 1.00 0.00 C ATOM 2046 O ASN A 133 11.114 -7.368 9.696 1.00 0.00 O ATOM 2047 CB ASN A 133 13.813 -7.455 10.276 1.00 0.00 C ATOM 2048 CG ASN A 133 13.427 -6.777 11.576 1.00 0.00 C ATOM 2049 OD1 ASN A 133 14.224 -6.052 12.172 1.00 0.00 O ATOM 2050 ND2 ASN A 133 12.198 -7.007 12.022 1.00 0.00 N ATOM 0 H ASN A 133 14.699 -5.319 8.254 1.00 0.00 H new ATOM 0 HA ASN A 133 13.607 -7.257 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 133 13.401 -8.464 10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 133 14.898 -7.553 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 133 11.882 -6.576 12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 133 11.570 -7.615 11.496 1.00 0.00 H new ATOM 2057 N ALA A 134 11.296 -5.563 8.364 1.00 0.00 N ATOM 2058 CA ALA A 134 9.859 -5.328 8.297 1.00 0.00 C ATOM 2059 C ALA A 134 9.212 -6.196 7.223 1.00 0.00 C ATOM 2060 O ALA A 134 9.661 -6.220 6.077 1.00 0.00 O ATOM 2061 CB ALA A 134 9.577 -3.857 8.032 1.00 0.00 C ATOM 0 H ALA A 134 11.857 -4.895 7.836 1.00 0.00 H new ATOM 0 HA ALA A 134 9.425 -5.601 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.500 -3.696 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 134 9.999 -3.255 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.030 -3.565 7.085 1.00 0.00 H new ATOM 2067 N VAL A 135 8.153 -6.906 7.599 1.00 0.00 N ATOM 2068 CA VAL A 135 7.444 -7.773 6.665 1.00 0.00 C ATOM 2069 C VAL A 135 6.899 -6.973 5.488 1.00 0.00 C ATOM 2070 O VAL A 135 5.977 -6.170 5.642 1.00 0.00 O ATOM 2071 CB VAL A 135 6.283 -8.514 7.356 1.00 0.00 C ATOM 2072 CG1 VAL A 135 5.662 -9.534 6.413 1.00 0.00 C ATOM 2073 CG2 VAL A 135 6.763 -9.182 8.637 1.00 0.00 C ATOM 0 H VAL A 135 7.767 -6.898 8.543 1.00 0.00 H new ATOM 0 HA VAL A 135 8.163 -8.507 6.301 1.00 0.00 H new ATOM 0 HB VAL A 135 5.516 -7.785 7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 135 4.844 -10.047 6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.279 -9.026 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.417 -10.261 6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 135 5.930 -9.700 9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.549 -9.899 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.154 -8.426 9.317 1.00 0.00 H new ATOM 2083 N THR A 136 7.478 -7.191 4.311 1.00 0.00 N ATOM 2084 CA THR A 136 7.056 -6.483 3.110 1.00 0.00 C ATOM 2085 C THR A 136 6.577 -7.450 2.033 1.00 0.00 C ATOM 2086 O THR A 136 6.867 -8.645 2.078 1.00 0.00 O ATOM 2087 CB THR A 136 8.209 -5.638 2.565 1.00 0.00 C ATOM 2088 OG1 THR A 136 9.456 -6.150 2.998 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.137 -4.189 2.986 1.00 0.00 C ATOM 0 H THR A 136 8.241 -7.853 4.165 1.00 0.00 H new ATOM 0 HA THR A 136 6.223 -5.834 3.382 1.00 0.00 H new ATOM 0 HB THR A 136 8.117 -5.690 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 136 10.141 -5.956 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 136 8.983 -3.646 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.208 -3.750 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.168 -4.124 4.074 1.00 0.00 H new ATOM 2097 N GLN A 137 5.847 -6.914 1.061 1.00 0.00 N ATOM 2098 CA GLN A 137 5.326 -7.712 -0.042 1.00 0.00 C ATOM 2099 C GLN A 137 4.907 -6.811 -1.198 1.00 0.00 C ATOM 2100 O GLN A 137 4.018 -5.972 -1.052 1.00 0.00 O ATOM 2101 CB GLN A 137 4.139 -8.557 0.423 1.00 0.00 C ATOM 2102 CG GLN A 137 3.116 -7.779 1.234 1.00 0.00 C ATOM 2103 CD GLN A 137 2.422 -8.638 2.275 1.00 0.00 C ATOM 2104 OE1 GLN A 137 2.148 -9.815 2.042 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.132 -8.050 3.430 1.00 0.00 N ATOM 0 H GLN A 137 5.602 -5.925 1.015 1.00 0.00 H new ATOM 0 HA GLN A 137 6.116 -8.379 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.647 -8.987 -0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.509 -9.388 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.610 -6.943 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.370 -7.356 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 137 2.378 -7.071 3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.664 -8.577 4.167 1.00 0.00 H new ATOM 2114 N VAL A 138 5.555 -6.985 -2.345 1.00 0.00 N ATOM 2115 CA VAL A 138 5.247 -6.180 -3.521 1.00 0.00 C ATOM 2116 C VAL A 138 4.164 -6.834 -4.368 1.00 0.00 C ATOM 2117 O VAL A 138 4.363 -7.907 -4.938 1.00 0.00 O ATOM 2118 CB VAL A 138 6.501 -5.936 -4.381 1.00 0.00 C ATOM 2119 CG1 VAL A 138 6.204 -4.939 -5.490 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.650 -5.448 -3.511 1.00 0.00 C ATOM 0 H VAL A 138 6.294 -7.674 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 138 4.880 -5.219 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 138 6.794 -6.879 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.102 -4.780 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.410 -5.329 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.886 -3.992 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.530 -5.279 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.366 -4.516 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.878 -6.199 -2.754 1.00 0.00 H new ATOM 2130 N ALA A 139 3.012 -6.178 -4.432 1.00 0.00 N ATOM 2131 CA ALA A 139 1.876 -6.680 -5.191 1.00 0.00 C ATOM 2132 C ALA A 139 2.040 -6.416 -6.685 1.00 0.00 C ATOM 2133 O ALA A 139 3.039 -5.843 -7.120 1.00 0.00 O ATOM 2134 CB ALA A 139 0.594 -6.045 -4.677 1.00 0.00 C ATOM 0 H ALA A 139 2.840 -5.289 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 139 1.824 -7.760 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.254 -6.424 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.462 -6.293 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.653 -4.963 -4.790 1.00 0.00 H new ATOM 2140 N LYS A 140 1.049 -6.840 -7.465 1.00 0.00 N ATOM 2141 CA LYS A 140 1.076 -6.653 -8.912 1.00 0.00 C ATOM 2142 C LYS A 140 0.653 -5.239 -9.289 1.00 0.00 C ATOM 2143 O LYS A 140 0.102 -4.504 -8.470 1.00 0.00 O ATOM 2144 CB LYS A 140 0.162 -7.672 -9.596 1.00 0.00 C ATOM 2145 CG LYS A 140 -1.287 -7.589 -9.145 1.00 0.00 C ATOM 2146 CD LYS A 140 -2.194 -8.434 -10.025 1.00 0.00 C ATOM 2147 CE LYS A 140 -2.958 -7.577 -11.023 1.00 0.00 C ATOM 2148 NZ LYS A 140 -2.256 -7.495 -12.335 1.00 0.00 N ATOM 0 H LYS A 140 0.216 -7.316 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 140 2.100 -6.807 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.207 -7.522 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 140 0.538 -8.676 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.367 -7.924 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -1.618 -6.551 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.598 -9.173 -10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -2.899 -8.984 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.955 -7.992 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.087 -6.574 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.823 -6.555 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.516 -8.224 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.939 -7.648 -13.104 1.00 0.00 H new ATOM 2162 N VAL A 141 0.921 -4.864 -10.535 1.00 0.00 N ATOM 2163 CA VAL A 141 0.577 -3.537 -11.027 1.00 0.00 C ATOM 2164 C VAL A 141 -0.654 -3.577 -11.927 1.00 0.00 C ATOM 2165 O VAL A 141 -0.913 -4.576 -12.597 1.00 0.00 O ATOM 2166 CB VAL A 141 1.750 -2.920 -11.812 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.411 -1.513 -12.274 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.015 -2.917 -10.968 1.00 0.00 C ATOM 0 H VAL A 141 1.377 -5.463 -11.224 1.00 0.00 H new ATOM 0 HA VAL A 141 0.358 -2.922 -10.154 1.00 0.00 H new ATOM 0 HB VAL A 141 1.928 -3.533 -12.696 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.254 -1.098 -12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.534 -1.544 -12.921 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.201 -0.886 -11.407 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.833 -2.477 -11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.848 -2.331 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.272 -3.940 -10.695 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.403 -2.478 -11.942 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.600 -2.383 -12.769 1.00 0.00 C ATOM 2180 C PHE A 142 -2.498 -1.219 -13.745 1.00 0.00 C ATOM 2181 O PHE A 142 -2.922 -1.324 -14.892 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.867 -2.217 -11.919 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.633 -1.777 -10.504 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.905 -2.563 -9.626 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -4.169 -0.583 -10.045 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.709 -2.164 -8.319 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.981 -0.183 -8.739 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.248 -0.976 -7.874 1.00 0.00 C ATOM 0 H PHE A 142 -1.202 -1.643 -11.392 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.672 -3.318 -13.325 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.519 -1.491 -12.405 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.402 -3.166 -11.904 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.486 -3.498 -9.968 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.740 0.040 -10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.134 -2.782 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.405 0.748 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.098 -0.664 -6.851 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.947 -0.108 -13.269 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.802 1.100 -14.078 1.00 0.00 C ATOM 2200 C ASP A 143 -0.643 1.013 -15.070 1.00 0.00 C ATOM 2201 O ASP A 143 -0.314 1.998 -15.730 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.593 2.302 -13.165 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.860 2.698 -12.436 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.669 1.799 -12.121 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -3.043 3.905 -12.179 1.00 0.00 O ATOM 0 H ASP A 143 -1.590 -0.018 -12.318 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.719 1.209 -14.658 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.815 2.072 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.237 3.146 -13.755 1.00 0.00 H new ATOM 2210 N GLN A 144 -0.017 -0.149 -15.170 1.00 0.00 N ATOM 2211 CA GLN A 144 1.103 -0.325 -16.074 1.00 0.00 C ATOM 2212 C GLN A 144 0.711 -0.069 -17.531 1.00 0.00 C ATOM 2213 O GLN A 144 1.559 0.285 -18.349 1.00 0.00 O ATOM 2214 CB GLN A 144 1.675 -1.731 -15.912 1.00 0.00 C ATOM 2215 CG GLN A 144 3.190 -1.768 -15.911 1.00 0.00 C ATOM 2216 CD GLN A 144 3.762 -2.296 -17.212 1.00 0.00 C ATOM 2217 OE1 GLN A 144 3.493 -3.430 -17.607 1.00 0.00 O ATOM 2218 NE2 GLN A 144 4.557 -1.474 -17.885 1.00 0.00 N ATOM 0 H GLN A 144 -0.267 -0.982 -14.636 1.00 0.00 H new ATOM 0 HA GLN A 144 1.864 0.411 -15.815 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.308 -2.159 -14.979 1.00 0.00 H new ATOM 0 HB3 GLN A 144 1.304 -2.361 -16.720 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.574 -0.764 -15.731 1.00 0.00 H new ATOM 0 HG3 GLN A 144 3.534 -2.393 -15.087 1.00 0.00 H new ATOM 0 HE21 GLN A 144 4.753 -0.542 -17.520 1.00 0.00 H new ATOM 0 HE22 GLN A 144 4.972 -1.774 -18.767 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.572 -0.244 -17.863 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.034 -0.022 -19.228 1.00 0.00 C ATOM 2229 C TYR A 145 -2.041 1.135 -19.298 1.00 0.00 C ATOM 2230 O TYR A 145 -2.436 1.552 -20.386 1.00 0.00 O ATOM 2231 CB TYR A 145 -1.640 -1.319 -19.788 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.742 -1.109 -20.799 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -4.013 -0.753 -20.385 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -2.512 -1.266 -22.159 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -5.033 -0.557 -21.295 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -3.524 -1.073 -23.079 1.00 0.00 C ATOM 2237 CZ TYR A 145 -4.784 -0.718 -22.643 1.00 0.00 C ATOM 2238 OH TYR A 145 -5.796 -0.523 -23.555 1.00 0.00 O ATOM 0 H TYR A 145 -1.299 -0.536 -17.210 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.179 0.261 -19.842 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -0.846 -1.906 -20.251 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -2.032 -1.910 -18.960 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -4.211 -0.626 -19.331 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -1.527 -1.543 -22.503 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -6.019 -0.279 -20.954 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -3.330 -1.199 -24.134 1.00 0.00 H new ATOM 0 HH TYR A 145 -5.454 -0.675 -24.461 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.458 1.650 -18.140 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.418 2.751 -18.101 1.00 0.00 C ATOM 2250 C LEU A 146 -3.085 3.744 -16.994 1.00 0.00 C ATOM 2251 O LEU A 146 -2.088 3.594 -16.290 1.00 0.00 O ATOM 2252 CB LEU A 146 -4.855 2.228 -17.927 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.115 1.307 -16.722 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.205 0.094 -16.755 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -4.957 2.053 -15.405 1.00 0.00 C ATOM 0 H LEU A 146 -2.148 1.325 -17.224 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.350 3.270 -19.057 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.522 3.086 -17.849 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.133 1.689 -18.833 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.148 0.965 -16.794 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.411 -0.539 -15.892 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.384 -0.471 -17.670 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.165 0.419 -16.727 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.148 1.372 -14.576 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.942 2.444 -15.328 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.667 2.879 -15.367 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.932 4.759 -16.846 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.735 5.781 -15.824 1.00 0.00 C ATOM 2269 C ASN A 147 -2.423 6.526 -16.043 1.00 0.00 C ATOM 2270 O ASN A 147 -1.354 5.902 -15.874 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.755 5.150 -14.431 1.00 0.00 C ATOM 2272 CG ASN A 147 -4.346 6.075 -13.385 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -5.395 5.787 -12.807 1.00 0.00 O ATOM 2274 ND2 ASN A 147 -3.677 7.194 -13.138 1.00 0.00 N ATOM 2275 OXT ASN A 147 -2.475 7.726 -16.382 1.00 0.00 O ATOM 0 H ASN A 147 -4.763 4.895 -17.422 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.553 6.498 -15.900 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.332 4.226 -14.462 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.739 4.882 -14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -4.028 7.856 -12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -2.812 7.392 -13.640 1.00 0.00 H new