USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 836 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= -12.2! C(o=-15!,f=-19!) USER MOD Set 1.3: A 84 ASN : amide:sc= -2.88 K(o=-15,f=-18!) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -0.183 USER MOD Set 2.2: A 34 MET CE :methyl 177:sc= -2.23 (180deg=-2.36) USER MOD Single : A 1 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0025) USER MOD Single : A 1 GLN N :NH3+ -167:sc= -0.042 (180deg=-0.213) USER MOD Single : A 3 GLN : amide:sc=-0.00146 X(o=-0.0015,f=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0.296 F(o=-0.64,f=0.3) USER MOD Single : A 7 SER OG : rot 39:sc= 1.13 USER MOD Single : A 13 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.96) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 21 SER OG : rot -121:sc= 1.02 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.219 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -58:sc= 0.811 USER MOD Single : A 39 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.717 USER MOD Single : A 52 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.7) USER MOD Single : A 55 SER OG : rot -55:sc= 0.198 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= -0.795 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -31:sc= 0.0295 USER MOD Single : A 71 SER OG : rot 45:sc= 0.257 USER MOD Single : A 74 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0887) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0.191 (180deg=-0.0483) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 83 MET CE :methyl -159:sc= -12.8! (180deg=-13.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0962 (180deg=-0.449) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.947 USER MOD Single : A 94 TYR OH : rot 165:sc= -0.168 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.196 USER MOD Single : A 109 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.3!) USER MOD Single : A 111 THR OG1 : rot 130:sc= -0.856 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0283 F(o=-2.8!,f=-0.028) USER MOD Single : A 114 THR OG1 : rot -120:sc= -0.617 USER MOD Single : A 116 SER OG : rot 180:sc= -2.13 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 12.688 12.171 4.508 1.00 0.00 N ATOM 2 CA GLN A 1 13.819 12.345 3.559 1.00 0.00 C ATOM 3 C GLN A 1 13.469 11.808 2.175 1.00 0.00 C ATOM 4 O GLN A 1 13.997 12.275 1.166 1.00 0.00 O ATOM 5 CB GLN A 1 15.040 11.610 4.116 1.00 0.00 C ATOM 6 CG GLN A 1 16.339 11.975 3.418 1.00 0.00 C ATOM 7 CD GLN A 1 17.346 10.841 3.429 1.00 0.00 C ATOM 8 OE1 GLN A 1 18.444 10.975 3.968 1.00 0.00 O ATOM 9 NE2 GLN A 1 16.975 9.715 2.829 1.00 0.00 N ATOM 0 H1 GLN A 1 12.864 12.733 5.365 1.00 0.00 H new ATOM 0 H2 GLN A 1 11.806 12.491 4.059 1.00 0.00 H new ATOM 0 H3 GLN A 1 12.601 11.167 4.764 1.00 0.00 H new ATOM 0 HA GLN A 1 14.034 13.408 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 1 15.134 11.832 5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 1 14.879 10.536 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 1 16.126 12.257 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 1 16.775 12.848 3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 1 16.055 9.648 2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 1 17.611 8.918 2.803 1.00 0.00 H new ATOM 20 N VAL A 2 12.575 10.826 2.135 1.00 0.00 N ATOM 21 CA VAL A 2 12.154 10.226 0.875 1.00 0.00 C ATOM 22 C VAL A 2 10.718 10.618 0.538 1.00 0.00 C ATOM 23 O VAL A 2 9.926 10.935 1.425 1.00 0.00 O ATOM 24 CB VAL A 2 12.264 8.683 0.903 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.445 8.215 0.065 1.00 0.00 C ATOM 26 CG2 VAL A 2 12.379 8.161 2.330 1.00 0.00 C ATOM 0 H VAL A 2 12.128 10.429 2.961 1.00 0.00 H new ATOM 0 HA VAL A 2 12.828 10.607 0.108 1.00 0.00 H new ATOM 0 HB VAL A 2 11.349 8.276 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.506 7.127 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.311 8.541 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.366 8.642 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.455 7.074 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.269 8.580 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.496 8.455 2.897 1.00 0.00 H new ATOM 36 N GLN A 3 10.390 10.595 -0.750 1.00 0.00 N ATOM 37 CA GLN A 3 9.051 10.948 -1.205 1.00 0.00 C ATOM 38 C GLN A 3 8.260 9.701 -1.589 1.00 0.00 C ATOM 39 O GLN A 3 8.835 8.639 -1.827 1.00 0.00 O ATOM 40 CB GLN A 3 9.131 11.904 -2.398 1.00 0.00 C ATOM 41 CG GLN A 3 8.998 13.369 -2.015 1.00 0.00 C ATOM 42 CD GLN A 3 9.070 14.293 -3.215 1.00 0.00 C ATOM 43 OE1 GLN A 3 10.073 14.328 -3.928 1.00 0.00 O ATOM 44 NE2 GLN A 3 8.001 15.047 -3.445 1.00 0.00 N ATOM 0 H GLN A 3 11.034 10.335 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 3 8.534 11.445 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.083 11.756 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.345 11.650 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.050 13.522 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.789 13.630 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.191 14.986 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.990 15.687 -4.239 1.00 0.00 H new ATOM 53 N LEU A 4 6.939 9.838 -1.649 1.00 0.00 N ATOM 54 CA LEU A 4 6.071 8.723 -2.006 1.00 0.00 C ATOM 55 C LEU A 4 4.831 9.212 -2.749 1.00 0.00 C ATOM 56 O LEU A 4 4.222 10.212 -2.369 1.00 0.00 O ATOM 57 CB LEU A 4 5.658 7.948 -0.752 1.00 0.00 C ATOM 58 CG LEU A 4 6.765 7.096 -0.124 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.222 7.698 1.196 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.290 5.664 0.078 1.00 0.00 C ATOM 0 H LEU A 4 6.447 10.710 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 4 6.629 8.060 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.299 8.658 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.819 7.299 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 4 7.614 7.083 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.009 7.078 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.606 8.703 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.379 7.745 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.091 5.075 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.423 5.658 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.016 5.232 -0.885 1.00 0.00 H new ATOM 72 N GLN A 5 4.465 8.501 -3.811 1.00 0.00 N ATOM 73 CA GLN A 5 3.299 8.862 -4.610 1.00 0.00 C ATOM 74 C GLN A 5 2.442 7.635 -4.908 1.00 0.00 C ATOM 75 O GLN A 5 2.856 6.503 -4.661 1.00 0.00 O ATOM 76 CB GLN A 5 3.738 9.521 -5.919 1.00 0.00 C ATOM 77 CG GLN A 5 2.818 10.642 -6.376 1.00 0.00 C ATOM 78 CD GLN A 5 2.511 10.575 -7.860 1.00 0.00 C ATOM 79 OE1 GLN A 5 2.924 11.600 -8.596 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 1.909 9.614 -8.338 1.00 0.00 N flip ATOM 0 H GLN A 5 4.959 7.671 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 5 2.701 9.570 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.746 9.917 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.787 8.762 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.886 10.594 -5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.280 11.602 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.610 8.848 -7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.709 9.584 -9.338 1.00 0.00 H new ATOM 89 N GLU A 6 1.246 7.868 -5.442 1.00 0.00 N ATOM 90 CA GLU A 6 0.331 6.781 -5.774 1.00 0.00 C ATOM 91 C GLU A 6 -0.089 6.858 -7.238 1.00 0.00 C ATOM 92 O GLU A 6 0.093 7.884 -7.893 1.00 0.00 O ATOM 93 CB GLU A 6 -0.910 6.824 -4.876 1.00 0.00 C ATOM 94 CG GLU A 6 -0.679 7.504 -3.534 1.00 0.00 C ATOM 95 CD GLU A 6 0.365 6.796 -2.693 1.00 0.00 C ATOM 96 OE1 GLU A 6 0.480 5.557 -2.809 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.067 7.479 -1.919 1.00 0.00 O ATOM 0 H GLU A 6 0.888 8.800 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 6 0.855 5.840 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.709 7.345 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.255 5.805 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.367 8.535 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.619 7.542 -2.984 1.00 0.00 H new ATOM 104 N SER A 7 -0.653 5.767 -7.746 1.00 0.00 N ATOM 105 CA SER A 7 -1.100 5.714 -9.133 1.00 0.00 C ATOM 106 C SER A 7 -2.001 4.507 -9.373 1.00 0.00 C ATOM 107 O SER A 7 -1.624 3.371 -9.084 1.00 0.00 O ATOM 108 CB SER A 7 0.104 5.663 -10.076 1.00 0.00 C ATOM 109 OG SER A 7 0.542 6.967 -10.416 1.00 0.00 O ATOM 0 H SER A 7 -0.811 4.908 -7.218 1.00 0.00 H new ATOM 0 HA SER A 7 -1.676 6.617 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.918 5.115 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.162 5.118 -10.982 1.00 0.00 H new ATOM 0 HG SER A 7 0.479 7.549 -9.630 1.00 0.00 H new ATOM 115 N GLY A 8 -3.193 4.761 -9.905 1.00 0.00 N ATOM 116 CA GLY A 8 -4.130 3.686 -10.177 1.00 0.00 C ATOM 117 C GLY A 8 -5.376 3.767 -9.316 1.00 0.00 C ATOM 118 O GLY A 8 -6.456 3.351 -9.736 1.00 0.00 O ATOM 0 H GLY A 8 -3.527 5.693 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.417 3.716 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.638 2.728 -10.008 1.00 0.00 H new ATOM 122 N GLY A 9 -5.226 4.302 -8.108 1.00 0.00 N ATOM 123 CA GLY A 9 -6.346 4.426 -7.201 1.00 0.00 C ATOM 124 C GLY A 9 -7.557 5.064 -7.845 1.00 0.00 C ATOM 125 O GLY A 9 -7.436 6.009 -8.625 1.00 0.00 O ATOM 0 H GLY A 9 -4.341 4.653 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.617 3.438 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.044 5.020 -6.338 1.00 0.00 H new ATOM 129 N GLY A 10 -8.726 4.541 -7.513 1.00 0.00 N ATOM 130 CA GLY A 10 -9.961 5.062 -8.061 1.00 0.00 C ATOM 131 C GLY A 10 -11.164 4.239 -7.654 1.00 0.00 C ATOM 132 O GLY A 10 -11.031 3.210 -6.991 1.00 0.00 O ATOM 0 H GLY A 10 -8.843 3.759 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.098 6.091 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.891 5.086 -9.149 1.00 0.00 H new ATOM 136 N LEU A 11 -12.341 4.702 -8.046 1.00 0.00 N ATOM 137 CA LEU A 11 -13.582 4.027 -7.721 1.00 0.00 C ATOM 138 C LEU A 11 -13.708 2.702 -8.465 1.00 0.00 C ATOM 139 O LEU A 11 -13.269 2.575 -9.608 1.00 0.00 O ATOM 140 CB LEU A 11 -14.763 4.928 -8.059 1.00 0.00 C ATOM 141 CG LEU A 11 -14.665 6.318 -7.445 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.365 7.359 -8.514 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.940 6.673 -6.692 1.00 0.00 C ATOM 0 H LEU A 11 -12.460 5.553 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.580 3.812 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.838 5.023 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.682 4.452 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.842 6.313 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.299 8.345 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.418 7.121 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.163 7.358 -9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.844 7.671 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.786 6.654 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.105 5.949 -5.894 1.00 0.00 H new ATOM 155 N VAL A 12 -14.310 1.719 -7.806 1.00 0.00 N ATOM 156 CA VAL A 12 -14.496 0.401 -8.400 1.00 0.00 C ATOM 157 C VAL A 12 -15.685 -0.318 -7.771 1.00 0.00 C ATOM 158 O VAL A 12 -15.763 -0.458 -6.551 1.00 0.00 O ATOM 159 CB VAL A 12 -13.234 -0.466 -8.242 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.883 -0.642 -6.773 1.00 0.00 C ATOM 161 CG2 VAL A 12 -13.420 -1.816 -8.920 1.00 0.00 C ATOM 0 H VAL A 12 -14.678 1.810 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.689 0.551 -9.462 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.405 0.046 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.988 -1.258 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.698 0.334 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.711 -1.128 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.516 -2.413 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.264 -2.337 -8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.613 -1.666 -9.982 1.00 0.00 H new ATOM 171 N GLN A 13 -16.611 -0.771 -8.610 1.00 0.00 N ATOM 172 CA GLN A 13 -17.795 -1.473 -8.136 1.00 0.00 C ATOM 173 C GLN A 13 -17.418 -2.724 -7.349 1.00 0.00 C ATOM 174 O GLN A 13 -16.335 -3.281 -7.528 1.00 0.00 O ATOM 175 CB GLN A 13 -18.690 -1.843 -9.311 1.00 0.00 C ATOM 176 CG GLN A 13 -19.852 -0.883 -9.517 1.00 0.00 C ATOM 177 CD GLN A 13 -21.153 -1.599 -9.823 1.00 0.00 C ATOM 178 OE1 GLN A 13 -21.154 -2.735 -10.297 1.00 0.00 O ATOM 179 NE2 GLN A 13 -22.271 -0.934 -9.554 1.00 0.00 N ATOM 0 H GLN A 13 -16.563 -0.663 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.338 -0.805 -7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -18.089 -1.873 -10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.083 -2.848 -9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.979 -0.274 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.615 -0.202 -10.335 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -22.223 0.006 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.177 -1.364 -9.740 1.00 0.00 H new ATOM 188 N ALA A 14 -18.322 -3.159 -6.474 1.00 0.00 N ATOM 189 CA ALA A 14 -18.093 -4.341 -5.653 1.00 0.00 C ATOM 190 C ALA A 14 -17.620 -5.522 -6.497 1.00 0.00 C ATOM 191 O ALA A 14 -18.206 -5.830 -7.534 1.00 0.00 O ATOM 192 CB ALA A 14 -19.361 -4.704 -4.894 1.00 0.00 C ATOM 0 H ALA A 14 -19.223 -2.707 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 14 -17.304 -4.108 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.179 -5.589 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.651 -3.873 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.163 -4.911 -5.603 1.00 0.00 H new ATOM 198 N GLY A 15 -16.555 -6.178 -6.047 1.00 0.00 N ATOM 199 CA GLY A 15 -16.023 -7.314 -6.776 1.00 0.00 C ATOM 200 C GLY A 15 -15.031 -6.909 -7.851 1.00 0.00 C ATOM 201 O GLY A 15 -14.536 -7.755 -8.596 1.00 0.00 O ATOM 0 H GLY A 15 -16.052 -5.943 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.537 -7.994 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.845 -7.863 -7.235 1.00 0.00 H new ATOM 205 N GLY A 16 -14.739 -5.613 -7.935 1.00 0.00 N ATOM 206 CA GLY A 16 -13.801 -5.129 -8.930 1.00 0.00 C ATOM 207 C GLY A 16 -12.396 -4.985 -8.380 1.00 0.00 C ATOM 208 O GLY A 16 -12.163 -4.218 -7.446 1.00 0.00 O ATOM 0 H GLY A 16 -15.135 -4.892 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.788 -5.815 -9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.141 -4.164 -9.307 1.00 0.00 H new ATOM 212 N SER A 17 -11.459 -5.728 -8.958 1.00 0.00 N ATOM 213 CA SER A 17 -10.072 -5.688 -8.524 1.00 0.00 C ATOM 214 C SER A 17 -9.406 -4.375 -8.923 1.00 0.00 C ATOM 215 O SER A 17 -9.637 -3.857 -10.016 1.00 0.00 O ATOM 216 CB SER A 17 -9.312 -6.862 -9.127 1.00 0.00 C ATOM 217 OG SER A 17 -10.147 -7.999 -9.260 1.00 0.00 O ATOM 0 H SER A 17 -11.639 -6.368 -9.732 1.00 0.00 H new ATOM 0 HA SER A 17 -10.051 -5.759 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.918 -6.581 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.457 -7.107 -8.497 1.00 0.00 H new ATOM 0 HG SER A 17 -9.635 -8.737 -9.651 1.00 0.00 H new ATOM 223 N LEU A 18 -8.577 -3.843 -8.031 1.00 0.00 N ATOM 224 CA LEU A 18 -7.874 -2.594 -8.288 1.00 0.00 C ATOM 225 C LEU A 18 -6.413 -2.699 -7.859 1.00 0.00 C ATOM 226 O LEU A 18 -6.113 -3.113 -6.739 1.00 0.00 O ATOM 227 CB LEU A 18 -8.554 -1.440 -7.553 1.00 0.00 C ATOM 228 CG LEU A 18 -7.871 -0.085 -7.722 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.520 0.702 -8.851 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.920 0.704 -6.422 1.00 0.00 C ATOM 0 H LEU A 18 -8.376 -4.260 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.908 -2.398 -9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.583 -1.359 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.598 -1.679 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.826 -0.256 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.021 1.665 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.431 0.143 -9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.574 0.863 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.428 1.667 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.959 0.865 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.408 0.146 -5.638 1.00 0.00 H new ATOM 242 N ARG A 19 -5.510 -2.332 -8.760 1.00 0.00 N ATOM 243 CA ARG A 19 -4.078 -2.393 -8.482 1.00 0.00 C ATOM 244 C ARG A 19 -3.494 -0.992 -8.315 1.00 0.00 C ATOM 245 O ARG A 19 -3.538 -0.180 -9.239 1.00 0.00 O ATOM 246 CB ARG A 19 -3.354 -3.118 -9.617 1.00 0.00 C ATOM 247 CG ARG A 19 -1.940 -3.550 -9.259 1.00 0.00 C ATOM 248 CD ARG A 19 -0.970 -3.305 -10.405 1.00 0.00 C ATOM 249 NE ARG A 19 -0.392 -4.550 -10.907 1.00 0.00 N ATOM 250 CZ ARG A 19 -1.052 -5.418 -11.670 1.00 0.00 C ATOM 251 NH1 ARG A 19 -2.310 -5.181 -12.023 1.00 0.00 N ATOM 252 NH2 ARG A 19 -0.454 -6.528 -12.081 1.00 0.00 N ATOM 0 H ARG A 19 -5.743 -1.988 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.937 -2.942 -7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.932 -3.997 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.316 -2.464 -10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.605 -3.005 -8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.937 -4.609 -9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.488 -2.793 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.171 -2.644 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 19 0.573 -4.766 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.776 -4.330 -11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.810 -5.850 -12.608 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.512 -6.716 -11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.960 -7.193 -12.666 1.00 0.00 H new ATOM 266 N LEU A 20 -2.941 -0.716 -7.139 1.00 0.00 N ATOM 267 CA LEU A 20 -2.344 0.582 -6.865 1.00 0.00 C ATOM 268 C LEU A 20 -0.830 0.507 -6.990 1.00 0.00 C ATOM 269 O LEU A 20 -0.206 -0.461 -6.559 1.00 0.00 O ATOM 270 CB LEU A 20 -2.733 1.068 -5.469 1.00 0.00 C ATOM 271 CG LEU A 20 -4.193 0.821 -5.086 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.432 1.171 -3.625 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.117 1.620 -5.990 1.00 0.00 C ATOM 0 H LEU A 20 -2.895 -1.375 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.721 1.294 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.092 0.576 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.531 2.137 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.412 -0.239 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.477 0.988 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.793 0.553 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.198 2.223 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.153 1.435 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.897 2.683 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.965 1.316 -7.026 1.00 0.00 H new ATOM 285 N SER A 21 -0.250 1.533 -7.592 1.00 0.00 N ATOM 286 CA SER A 21 1.193 1.591 -7.790 1.00 0.00 C ATOM 287 C SER A 21 1.805 2.772 -7.045 1.00 0.00 C ATOM 288 O SER A 21 1.588 3.929 -7.407 1.00 0.00 O ATOM 289 CB SER A 21 1.519 1.695 -9.280 1.00 0.00 C ATOM 290 OG SER A 21 0.782 0.746 -10.031 1.00 0.00 O ATOM 0 H SER A 21 -0.757 2.341 -7.954 1.00 0.00 H new ATOM 0 HA SER A 21 1.622 0.673 -7.389 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.292 2.700 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.586 1.536 -9.434 1.00 0.00 H new ATOM 0 HG SER A 21 1.401 0.161 -10.516 1.00 0.00 H new ATOM 296 N CYS A 22 2.577 2.471 -6.008 1.00 0.00 N ATOM 297 CA CYS A 22 3.229 3.504 -5.216 1.00 0.00 C ATOM 298 C CYS A 22 4.721 3.551 -5.523 1.00 0.00 C ATOM 299 O CYS A 22 5.388 2.518 -5.576 1.00 0.00 O ATOM 300 CB CYS A 22 3.007 3.252 -3.724 1.00 0.00 C ATOM 301 SG CYS A 22 3.873 4.421 -2.626 1.00 0.00 S ATOM 0 H CYS A 22 2.766 1.518 -5.696 1.00 0.00 H new ATOM 0 HA CYS A 22 2.789 4.466 -5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.938 3.300 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.333 2.239 -3.486 1.00 0.00 H new ATOM 306 N ALA A 23 5.236 4.757 -5.729 1.00 0.00 N ATOM 307 CA ALA A 23 6.649 4.941 -6.036 1.00 0.00 C ATOM 308 C ALA A 23 7.336 5.797 -4.979 1.00 0.00 C ATOM 309 O ALA A 23 6.681 6.523 -4.232 1.00 0.00 O ATOM 310 CB ALA A 23 6.812 5.567 -7.412 1.00 0.00 C ATOM 0 H ALA A 23 4.697 5.622 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 23 7.125 3.960 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.872 5.699 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.367 4.915 -8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.314 6.537 -7.432 1.00 0.00 H new ATOM 316 N ALA A 24 8.661 5.707 -4.924 1.00 0.00 N ATOM 317 CA ALA A 24 9.441 6.473 -3.960 1.00 0.00 C ATOM 318 C ALA A 24 10.845 6.747 -4.489 1.00 0.00 C ATOM 319 O ALA A 24 11.469 5.879 -5.099 1.00 0.00 O ATOM 320 CB ALA A 24 9.509 5.735 -2.632 1.00 0.00 C ATOM 0 H ALA A 24 9.217 5.110 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 24 8.945 7.431 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.094 6.318 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.501 5.594 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.980 4.763 -2.779 1.00 0.00 H new ATOM 326 N SER A 25 11.337 7.958 -4.251 1.00 0.00 N ATOM 327 CA SER A 25 12.668 8.345 -4.705 1.00 0.00 C ATOM 328 C SER A 25 13.592 8.608 -3.521 1.00 0.00 C ATOM 329 O SER A 25 13.268 9.395 -2.631 1.00 0.00 O ATOM 330 CB SER A 25 12.586 9.589 -5.591 1.00 0.00 C ATOM 331 OG SER A 25 12.218 9.249 -6.916 1.00 0.00 O ATOM 0 H SER A 25 10.834 8.688 -3.747 1.00 0.00 H new ATOM 0 HA SER A 25 13.080 7.521 -5.287 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.859 10.287 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.549 10.099 -5.597 1.00 0.00 H new ATOM 0 HG SER A 25 12.171 10.062 -7.461 1.00 0.00 H new ATOM 337 N GLY A 26 14.743 7.945 -3.517 1.00 0.00 N ATOM 338 CA GLY A 26 15.697 8.120 -2.438 1.00 0.00 C ATOM 339 C GLY A 26 16.116 6.803 -1.814 1.00 0.00 C ATOM 340 O GLY A 26 15.388 6.236 -0.999 1.00 0.00 O ATOM 0 H GLY A 26 15.033 7.289 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.579 8.636 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.260 8.759 -1.671 1.00 0.00 H new ATOM 344 N ARG A 27 17.290 6.315 -2.200 1.00 0.00 N ATOM 345 CA ARG A 27 17.804 5.055 -1.673 1.00 0.00 C ATOM 346 C ARG A 27 18.332 5.233 -0.254 1.00 0.00 C ATOM 347 O ARG A 27 19.223 6.047 -0.010 1.00 0.00 O ATOM 348 CB ARG A 27 18.912 4.512 -2.577 1.00 0.00 C ATOM 349 CG ARG A 27 19.431 3.148 -2.149 1.00 0.00 C ATOM 350 CD ARG A 27 20.908 3.194 -1.785 1.00 0.00 C ATOM 351 NE ARG A 27 21.179 2.523 -0.515 1.00 0.00 N ATOM 352 CZ ARG A 27 21.003 1.219 -0.313 1.00 0.00 C ATOM 353 NH1 ARG A 27 20.559 0.442 -1.293 1.00 0.00 N ATOM 354 NH2 ARG A 27 21.273 0.691 0.873 1.00 0.00 N ATOM 0 H ARG A 27 17.903 6.772 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 27 16.982 4.340 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.537 4.445 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.741 5.220 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.857 2.793 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.278 2.431 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.491 2.723 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.234 4.232 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 27 21.523 3.087 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 27 20.351 0.843 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.426 -0.556 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.615 1.284 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.139 -0.308 1.029 1.00 0.00 H new ATOM 368 N THR A 28 17.777 4.466 0.678 1.00 0.00 N ATOM 369 CA THR A 28 18.193 4.537 2.074 1.00 0.00 C ATOM 370 C THR A 28 18.927 3.264 2.486 1.00 0.00 C ATOM 371 O THR A 28 19.054 2.328 1.697 1.00 0.00 O ATOM 372 CB THR A 28 16.978 4.755 2.977 1.00 0.00 C ATOM 373 OG1 THR A 28 15.897 3.936 2.570 1.00 0.00 O ATOM 374 CG2 THR A 28 16.490 6.188 2.987 1.00 0.00 C ATOM 0 H THR A 28 17.038 3.788 0.492 1.00 0.00 H new ATOM 0 HA THR A 28 18.875 5.380 2.184 1.00 0.00 H new ATOM 0 HB THR A 28 17.314 4.495 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.059 4.300 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.627 6.274 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.286 6.841 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.205 6.482 1.977 1.00 0.00 H new ATOM 382 N GLY A 29 19.408 3.235 3.725 1.00 0.00 N ATOM 383 CA GLY A 29 20.121 2.075 4.216 1.00 0.00 C ATOM 384 C GLY A 29 19.824 1.783 5.673 1.00 0.00 C ATOM 385 O GLY A 29 20.693 1.318 6.411 1.00 0.00 O ATOM 0 H GLY A 29 19.315 3.997 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.854 1.207 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.192 2.232 4.092 1.00 0.00 H new ATOM 389 N SER A 30 18.594 2.061 6.089 1.00 0.00 N ATOM 390 CA SER A 30 18.181 1.830 7.468 1.00 0.00 C ATOM 391 C SER A 30 17.013 0.850 7.533 1.00 0.00 C ATOM 392 O SER A 30 16.024 1.093 8.223 1.00 0.00 O ATOM 393 CB SER A 30 17.786 3.153 8.123 1.00 0.00 C ATOM 394 OG SER A 30 18.056 3.136 9.514 1.00 0.00 O ATOM 0 H SER A 30 17.864 2.447 5.490 1.00 0.00 H new ATOM 0 HA SER A 30 19.023 1.396 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.332 3.972 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.725 3.341 7.958 1.00 0.00 H new ATOM 0 HG SER A 30 17.796 3.995 9.908 1.00 0.00 H new ATOM 400 N THR A 31 17.133 -0.258 6.809 1.00 0.00 N ATOM 401 CA THR A 31 16.084 -1.273 6.786 1.00 0.00 C ATOM 402 C THR A 31 14.746 -0.664 6.376 1.00 0.00 C ATOM 403 O THR A 31 13.689 -1.093 6.837 1.00 0.00 O ATOM 404 CB THR A 31 15.955 -1.942 8.157 1.00 0.00 C ATOM 405 OG1 THR A 31 15.237 -1.113 9.055 1.00 0.00 O ATOM 406 CG2 THR A 31 17.288 -2.267 8.795 1.00 0.00 C ATOM 0 H THR A 31 17.945 -0.476 6.231 1.00 0.00 H new ATOM 0 HA THR A 31 16.362 -2.027 6.049 1.00 0.00 H new ATOM 0 HB THR A 31 15.424 -2.876 7.972 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.693 -0.250 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.122 -2.739 9.764 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.844 -2.948 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.859 -1.349 8.932 1.00 0.00 H new ATOM 414 N TYR A 32 14.805 0.342 5.510 1.00 0.00 N ATOM 415 CA TYR A 32 13.607 1.020 5.034 1.00 0.00 C ATOM 416 C TYR A 32 12.791 0.105 4.122 1.00 0.00 C ATOM 417 O TYR A 32 13.343 -0.618 3.293 1.00 0.00 O ATOM 418 CB TYR A 32 14.013 2.311 4.305 1.00 0.00 C ATOM 419 CG TYR A 32 13.147 2.686 3.118 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.226 1.979 1.923 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.263 3.755 3.190 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.448 2.327 0.836 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.481 4.107 2.107 1.00 0.00 C ATOM 424 CZ TYR A 32 11.577 3.391 0.933 1.00 0.00 C ATOM 425 OH TYR A 32 10.800 3.740 -0.147 1.00 0.00 O ATOM 0 H TYR A 32 15.675 0.707 5.122 1.00 0.00 H new ATOM 0 HA TYR A 32 12.975 1.277 5.885 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.996 3.133 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.043 2.207 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.907 1.144 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.186 4.320 4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.522 1.768 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.797 4.940 2.180 1.00 0.00 H new ATOM 0 HH TYR A 32 10.241 4.510 0.087 1.00 0.00 H new ATOM 435 N ASP A 33 11.472 0.147 4.284 1.00 0.00 N ATOM 436 CA ASP A 33 10.573 -0.674 3.480 1.00 0.00 C ATOM 437 C ASP A 33 9.453 0.177 2.887 1.00 0.00 C ATOM 438 O ASP A 33 9.391 1.384 3.117 1.00 0.00 O ATOM 439 CB ASP A 33 9.975 -1.801 4.328 1.00 0.00 C ATOM 440 CG ASP A 33 10.987 -2.422 5.272 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.379 -1.749 6.247 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.387 -3.582 5.036 1.00 0.00 O ATOM 0 H ASP A 33 11.001 0.742 4.966 1.00 0.00 H new ATOM 0 HA ASP A 33 11.151 -1.111 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.137 -1.410 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.576 -2.573 3.670 1.00 0.00 H new ATOM 447 N MET A 34 8.567 -0.460 2.127 1.00 0.00 N ATOM 448 CA MET A 34 7.450 0.242 1.509 1.00 0.00 C ATOM 449 C MET A 34 6.163 -0.566 1.643 1.00 0.00 C ATOM 450 O MET A 34 6.103 -1.727 1.238 1.00 0.00 O ATOM 451 CB MET A 34 7.747 0.522 0.033 1.00 0.00 C ATOM 452 CG MET A 34 7.775 2.002 -0.310 1.00 0.00 C ATOM 453 SD MET A 34 7.291 2.329 -2.016 1.00 0.00 S ATOM 454 CE MET A 34 8.805 1.923 -2.881 1.00 0.00 C ATOM 0 H MET A 34 8.602 -1.459 1.925 1.00 0.00 H new ATOM 0 HA MET A 34 7.316 1.192 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.709 0.079 -0.226 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.993 0.029 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.107 2.540 0.363 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.779 2.391 -0.140 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.649 2.024 -3.955 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.598 2.601 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.092 0.897 -2.651 1.00 0.00 H new ATOM 464 N GLY A 35 5.135 0.054 2.216 1.00 0.00 N ATOM 465 CA GLY A 35 3.868 -0.629 2.394 1.00 0.00 C ATOM 466 C GLY A 35 2.677 0.300 2.284 1.00 0.00 C ATOM 467 O GLY A 35 2.814 1.517 2.413 1.00 0.00 O ATOM 0 H GLY A 35 5.158 1.014 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.778 -1.417 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.856 -1.113 3.371 1.00 0.00 H new ATOM 471 N TRP A 36 1.504 -0.277 2.041 1.00 0.00 N ATOM 472 CA TRP A 36 0.282 0.495 1.909 1.00 0.00 C ATOM 473 C TRP A 36 -0.482 0.550 3.224 1.00 0.00 C ATOM 474 O TRP A 36 -0.313 -0.305 4.093 1.00 0.00 O ATOM 475 CB TRP A 36 -0.597 -0.116 0.827 1.00 0.00 C ATOM 476 CG TRP A 36 -0.043 0.031 -0.557 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.909 -0.751 -1.145 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.410 1.017 -1.531 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.158 -0.312 -2.423 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.361 0.771 -2.683 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.314 2.083 -1.540 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.253 1.552 -3.832 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.420 2.857 -2.681 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.640 2.587 -3.813 1.00 0.00 C ATOM 0 H TRP A 36 1.378 -1.283 1.932 1.00 0.00 H new ATOM 0 HA TRP A 36 0.552 1.514 1.632 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.737 -1.175 1.041 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.582 0.350 0.866 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.396 -1.592 -0.674 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.827 -0.725 -3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.919 2.298 -0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.853 1.347 -4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.115 3.683 -2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.746 3.210 -4.689 1.00 0.00 H new ATOM 495 N PHE A 37 -1.320 1.569 3.361 1.00 0.00 N ATOM 496 CA PHE A 37 -2.113 1.759 4.558 1.00 0.00 C ATOM 497 C PHE A 37 -3.550 2.116 4.191 1.00 0.00 C ATOM 498 O PHE A 37 -3.888 2.227 3.013 1.00 0.00 O ATOM 499 CB PHE A 37 -1.508 2.883 5.392 1.00 0.00 C ATOM 500 CG PHE A 37 -0.479 2.428 6.384 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.800 2.093 5.972 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.788 2.346 7.732 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.752 1.682 6.886 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.159 1.935 8.651 1.00 0.00 C ATOM 505 CZ PHE A 37 1.431 1.603 8.227 1.00 0.00 C ATOM 0 H PHE A 37 -1.466 2.282 2.646 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.116 0.832 5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.053 3.613 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.309 3.396 5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.057 2.154 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.781 2.606 8.069 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.746 1.423 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.095 1.874 9.699 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.173 1.282 8.943 1.00 0.00 H new ATOM 515 N ARG A 38 -4.390 2.311 5.202 1.00 0.00 N ATOM 516 CA ARG A 38 -5.781 2.671 4.973 1.00 0.00 C ATOM 517 C ARG A 38 -6.302 3.560 6.101 1.00 0.00 C ATOM 518 O ARG A 38 -5.836 3.472 7.237 1.00 0.00 O ATOM 519 CB ARG A 38 -6.642 1.413 4.839 1.00 0.00 C ATOM 520 CG ARG A 38 -7.034 0.779 6.165 1.00 0.00 C ATOM 521 CD ARG A 38 -7.115 -0.735 6.055 1.00 0.00 C ATOM 522 NE ARG A 38 -8.460 -1.186 5.703 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.520 -1.037 6.494 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.394 -0.461 7.683 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.709 -1.466 6.095 1.00 0.00 N ATOM 0 H ARG A 38 -4.131 2.226 6.185 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.841 3.233 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.548 1.664 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.100 0.678 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.306 1.051 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.997 1.174 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.407 -1.082 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.818 -1.184 7.003 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.594 -1.641 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.481 -0.130 7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.210 -0.350 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.811 -1.910 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.522 -1.352 6.701 1.00 0.00 H new ATOM 539 N GLN A 39 -7.266 4.418 5.780 1.00 0.00 N ATOM 540 CA GLN A 39 -7.839 5.322 6.771 1.00 0.00 C ATOM 541 C GLN A 39 -9.335 5.516 6.542 1.00 0.00 C ATOM 542 O GLN A 39 -9.813 5.476 5.409 1.00 0.00 O ATOM 543 CB GLN A 39 -7.122 6.674 6.727 1.00 0.00 C ATOM 544 CG GLN A 39 -6.223 6.925 7.927 1.00 0.00 C ATOM 545 CD GLN A 39 -6.914 7.720 9.017 1.00 0.00 C ATOM 546 OE1 GLN A 39 -7.951 8.342 8.786 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.341 7.704 10.215 1.00 0.00 N ATOM 0 H GLN A 39 -7.665 4.506 4.845 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.702 4.874 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.524 6.729 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.866 7.469 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.891 5.970 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.331 7.460 7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.481 7.175 10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.760 8.221 10.988 1.00 0.00 H new ATOM 556 N ALA A 40 -10.067 5.733 7.631 1.00 0.00 N ATOM 557 CA ALA A 40 -11.508 5.941 7.560 1.00 0.00 C ATOM 558 C ALA A 40 -11.952 6.982 8.584 1.00 0.00 C ATOM 559 O ALA A 40 -11.252 7.235 9.564 1.00 0.00 O ATOM 560 CB ALA A 40 -12.244 4.629 7.784 1.00 0.00 C ATOM 0 H ALA A 40 -9.683 5.769 8.575 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.753 6.312 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.319 4.801 7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.951 3.912 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.991 4.233 8.767 1.00 0.00 H new ATOM 566 N PRO A 41 -13.123 7.607 8.372 1.00 0.00 N ATOM 567 CA PRO A 41 -13.644 8.626 9.287 1.00 0.00 C ATOM 568 C PRO A 41 -14.021 8.047 10.639 1.00 0.00 C ATOM 569 O PRO A 41 -14.599 6.964 10.727 1.00 0.00 O ATOM 570 CB PRO A 41 -14.876 9.172 8.562 1.00 0.00 C ATOM 571 CG PRO A 41 -15.291 8.079 7.638 1.00 0.00 C ATOM 572 CD PRO A 41 -14.025 7.375 7.229 1.00 0.00 C ATOM 0 HA PRO A 41 -12.901 9.392 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.672 9.419 9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.640 10.085 8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.977 7.391 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.812 8.480 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.193 6.312 7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.617 7.785 6.305 1.00 0.00 H new ATOM 580 N GLY A 42 -13.662 8.769 11.694 1.00 0.00 N ATOM 581 CA GLY A 42 -13.942 8.303 13.034 1.00 0.00 C ATOM 582 C GLY A 42 -13.043 7.145 13.423 1.00 0.00 C ATOM 583 O GLY A 42 -13.154 6.606 14.524 1.00 0.00 O ATOM 0 H GLY A 42 -13.182 9.668 11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.807 9.122 13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.985 7.993 13.101 1.00 0.00 H new ATOM 587 N LYS A 43 -12.156 6.752 12.507 1.00 0.00 N ATOM 588 CA LYS A 43 -11.246 5.647 12.745 1.00 0.00 C ATOM 589 C LYS A 43 -9.798 6.129 12.794 1.00 0.00 C ATOM 590 O LYS A 43 -9.530 7.330 12.750 1.00 0.00 O ATOM 591 CB LYS A 43 -11.415 4.624 11.631 1.00 0.00 C ATOM 592 CG LYS A 43 -11.203 3.185 12.077 1.00 0.00 C ATOM 593 CD LYS A 43 -12.501 2.392 12.039 1.00 0.00 C ATOM 594 CE LYS A 43 -12.505 1.274 13.070 1.00 0.00 C ATOM 595 NZ LYS A 43 -13.616 1.427 14.051 1.00 0.00 N ATOM 0 H LYS A 43 -12.054 7.190 11.591 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.480 5.195 13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.417 4.720 11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.711 4.853 10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.465 2.708 11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.797 3.173 13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.342 3.061 12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.641 1.970 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.598 0.313 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.552 1.265 13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.584 0.646 14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.514 2.332 14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.527 1.410 13.549 1.00 0.00 H new ATOM 609 N GLU A 44 -8.868 5.182 12.879 1.00 0.00 N ATOM 610 CA GLU A 44 -7.448 5.501 12.925 1.00 0.00 C ATOM 611 C GLU A 44 -6.723 4.890 11.729 1.00 0.00 C ATOM 612 O GLU A 44 -7.352 4.312 10.842 1.00 0.00 O ATOM 613 CB GLU A 44 -6.830 4.994 14.229 1.00 0.00 C ATOM 614 CG GLU A 44 -7.630 5.368 15.467 1.00 0.00 C ATOM 615 CD GLU A 44 -7.481 4.356 16.586 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.367 3.820 16.757 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.480 4.100 17.291 1.00 0.00 O ATOM 0 H GLU A 44 -9.076 4.184 12.917 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.338 6.585 12.882 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.738 3.909 14.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.821 5.396 14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.307 6.347 15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.683 5.457 15.201 1.00 0.00 H new ATOM 624 N ARG A 45 -5.400 5.020 11.706 1.00 0.00 N ATOM 625 CA ARG A 45 -4.602 4.478 10.611 1.00 0.00 C ATOM 626 C ARG A 45 -4.470 2.963 10.725 1.00 0.00 C ATOM 627 O ARG A 45 -4.217 2.429 11.805 1.00 0.00 O ATOM 628 CB ARG A 45 -3.214 5.119 10.588 1.00 0.00 C ATOM 629 CG ARG A 45 -2.908 5.861 9.296 1.00 0.00 C ATOM 630 CD ARG A 45 -1.492 5.584 8.813 1.00 0.00 C ATOM 631 NE ARG A 45 -0.855 6.781 8.271 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.588 7.870 8.990 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.889 7.912 10.282 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.016 8.919 8.415 1.00 0.00 N ATOM 0 H ARG A 45 -4.860 5.494 12.430 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.117 4.711 9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.129 5.813 11.425 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.462 4.344 10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.620 5.563 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.037 6.932 9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.896 5.199 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.515 4.808 8.048 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.599 6.783 7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.327 7.107 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.682 8.749 10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.219 8.892 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.189 9.753 8.965 1.00 0.00 H new ATOM 648 N GLU A 46 -4.639 2.280 9.598 1.00 0.00 N ATOM 649 CA GLU A 46 -4.535 0.824 9.556 1.00 0.00 C ATOM 650 C GLU A 46 -3.752 0.386 8.324 1.00 0.00 C ATOM 651 O GLU A 46 -4.153 0.663 7.194 1.00 0.00 O ATOM 652 CB GLU A 46 -5.922 0.164 9.542 1.00 0.00 C ATOM 653 CG GLU A 46 -7.046 1.026 10.106 1.00 0.00 C ATOM 654 CD GLU A 46 -7.740 0.379 11.289 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.034 -0.131 12.185 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.989 0.381 11.319 1.00 0.00 O ATOM 0 H GLU A 46 -4.849 2.712 8.698 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.010 0.505 10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.170 -0.106 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.873 -0.764 10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.641 1.991 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.778 1.221 9.322 1.00 0.00 H new ATOM 663 N SER A 47 -2.633 -0.293 8.541 1.00 0.00 N ATOM 664 CA SER A 47 -1.807 -0.755 7.449 1.00 0.00 C ATOM 665 C SER A 47 -2.503 -1.850 6.661 1.00 0.00 C ATOM 666 O SER A 47 -3.539 -2.377 7.066 1.00 0.00 O ATOM 667 CB SER A 47 -0.468 -1.264 7.978 1.00 0.00 C ATOM 668 OG SER A 47 0.075 -2.273 7.142 1.00 0.00 O ATOM 0 H SER A 47 -2.282 -0.533 9.468 1.00 0.00 H new ATOM 0 HA SER A 47 -1.631 0.088 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.235 -0.434 8.050 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.600 -1.658 8.986 1.00 0.00 H new ATOM 0 HG SER A 47 0.932 -2.575 7.508 1.00 0.00 H new ATOM 674 N VAL A 48 -1.908 -2.179 5.533 1.00 0.00 N ATOM 675 CA VAL A 48 -2.432 -3.215 4.651 1.00 0.00 C ATOM 676 C VAL A 48 -1.342 -4.211 4.272 1.00 0.00 C ATOM 677 O VAL A 48 -1.471 -5.411 4.515 1.00 0.00 O ATOM 678 CB VAL A 48 -3.028 -2.615 3.370 1.00 0.00 C ATOM 679 CG1 VAL A 48 -3.751 -3.682 2.564 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.961 -1.460 3.702 1.00 0.00 C ATOM 0 H VAL A 48 -1.050 -1.741 5.198 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.220 -3.730 5.200 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.212 -2.226 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.166 -3.236 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.049 -4.470 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.557 -4.106 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.373 -1.049 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.773 -1.819 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.406 -0.684 4.229 1.00 0.00 H new ATOM 690 N ALA A 49 -0.268 -3.703 3.679 1.00 0.00 N ATOM 691 CA ALA A 49 0.848 -4.544 3.268 1.00 0.00 C ATOM 692 C ALA A 49 2.151 -3.753 3.256 1.00 0.00 C ATOM 693 O ALA A 49 2.138 -2.523 3.262 1.00 0.00 O ATOM 694 CB ALA A 49 0.578 -5.148 1.898 1.00 0.00 C ATOM 0 H ALA A 49 -0.147 -2.712 3.472 1.00 0.00 H new ATOM 0 HA ALA A 49 0.951 -5.352 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.420 -5.774 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.327 -5.754 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.447 -4.349 1.168 1.00 0.00 H new ATOM 700 N ALA A 50 3.274 -4.465 3.238 1.00 0.00 N ATOM 701 CA ALA A 50 4.584 -3.823 3.224 1.00 0.00 C ATOM 702 C ALA A 50 5.660 -4.789 2.744 1.00 0.00 C ATOM 703 O ALA A 50 5.573 -5.992 2.976 1.00 0.00 O ATOM 704 CB ALA A 50 4.926 -3.289 4.607 1.00 0.00 C ATOM 0 H ALA A 50 3.303 -5.485 3.233 1.00 0.00 H new ATOM 0 HA ALA A 50 4.546 -2.987 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.906 -2.813 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.176 -2.559 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.941 -4.112 5.321 1.00 0.00 H new ATOM 710 N ILE A 51 6.672 -4.259 2.068 1.00 0.00 N ATOM 711 CA ILE A 51 7.754 -5.087 1.555 1.00 0.00 C ATOM 712 C ILE A 51 9.106 -4.407 1.719 1.00 0.00 C ATOM 713 O ILE A 51 9.229 -3.191 1.572 1.00 0.00 O ATOM 714 CB ILE A 51 7.522 -5.433 0.072 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.451 -6.577 -0.375 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.672 -4.196 -0.811 1.00 0.00 C ATOM 717 CD1 ILE A 51 9.841 -6.146 -0.804 1.00 0.00 C ATOM 0 H ILE A 51 6.765 -3.264 1.863 1.00 0.00 H new ATOM 0 HA ILE A 51 7.761 -6.007 2.140 1.00 0.00 H new ATOM 0 HB ILE A 51 6.496 -5.784 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.545 -7.289 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.979 -7.105 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.503 -4.470 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.943 -3.444 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.678 -3.790 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.418 -7.022 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.765 -5.459 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.340 -5.647 0.027 1.00 0.00 H new ATOM 729 N ASN A 52 10.118 -5.207 2.016 1.00 0.00 N ATOM 730 CA ASN A 52 11.471 -4.697 2.193 1.00 0.00 C ATOM 731 C ASN A 52 12.065 -4.294 0.845 1.00 0.00 C ATOM 732 O ASN A 52 11.329 -4.001 -0.096 1.00 0.00 O ATOM 733 CB ASN A 52 12.344 -5.748 2.874 1.00 0.00 C ATOM 734 CG ASN A 52 13.355 -5.136 3.824 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.605 -3.931 3.792 1.00 0.00 O ATOM 736 ND2 ASN A 52 13.943 -5.967 4.678 1.00 0.00 N ATOM 0 H ASN A 52 10.029 -6.215 2.140 1.00 0.00 H new ATOM 0 HA ASN A 52 11.434 -3.813 2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.709 -6.443 3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.869 -6.328 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.632 -5.613 5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.706 -6.959 4.670 1.00 0.00 H new ATOM 743 N TRP A 53 13.389 -4.281 0.746 1.00 0.00 N ATOM 744 CA TRP A 53 14.044 -3.919 -0.500 1.00 0.00 C ATOM 745 C TRP A 53 14.215 -5.147 -1.387 1.00 0.00 C ATOM 746 O TRP A 53 13.734 -5.177 -2.520 1.00 0.00 O ATOM 747 CB TRP A 53 15.398 -3.267 -0.220 1.00 0.00 C ATOM 748 CG TRP A 53 15.632 -2.030 -1.033 1.00 0.00 C ATOM 749 CD1 TRP A 53 15.868 -0.770 -0.563 1.00 0.00 C ATOM 750 CD2 TRP A 53 15.641 -1.933 -2.462 1.00 0.00 C ATOM 751 NE1 TRP A 53 16.023 0.104 -1.612 1.00 0.00 N ATOM 752 CE2 TRP A 53 15.888 -0.586 -2.788 1.00 0.00 C ATOM 753 CE3 TRP A 53 15.464 -2.854 -3.496 1.00 0.00 C ATOM 754 CZ2 TRP A 53 15.962 -0.141 -4.106 1.00 0.00 C ATOM 755 CZ3 TRP A 53 15.539 -2.412 -4.804 1.00 0.00 C ATOM 756 CH2 TRP A 53 15.786 -1.066 -5.099 1.00 0.00 C ATOM 0 H TRP A 53 14.024 -4.515 1.509 1.00 0.00 H new ATOM 0 HA TRP A 53 13.417 -3.199 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 53 15.462 -3.017 0.839 1.00 0.00 H new ATOM 0 HB3 TRP A 53 16.191 -3.986 -0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 53 15.925 -0.500 0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 53 16.208 1.104 -1.529 1.00 0.00 H new ATOM 0 HE3 TRP A 53 15.272 -3.894 -3.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 16.152 0.897 -4.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 15.405 -3.117 -5.611 1.00 0.00 H new ATOM 0 HH2 TRP A 53 15.839 -0.751 -6.131 1.00 0.00 H new ATOM 767 N ASP A 54 14.891 -6.164 -0.863 1.00 0.00 N ATOM 768 CA ASP A 54 15.111 -7.394 -1.614 1.00 0.00 C ATOM 769 C ASP A 54 15.803 -8.450 -0.758 1.00 0.00 C ATOM 770 O ASP A 54 16.696 -8.140 0.030 1.00 0.00 O ATOM 771 CB ASP A 54 15.946 -7.109 -2.863 1.00 0.00 C ATOM 772 CG ASP A 54 15.757 -8.161 -3.939 1.00 0.00 C ATOM 773 OD1 ASP A 54 15.295 -9.273 -3.607 1.00 0.00 O ATOM 774 OD2 ASP A 54 16.072 -7.873 -5.113 1.00 0.00 O ATOM 0 H ASP A 54 15.294 -6.161 0.074 1.00 0.00 H new ATOM 0 HA ASP A 54 14.137 -7.782 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.675 -6.132 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.000 -7.060 -2.588 1.00 0.00 H new ATOM 779 N SER A 55 15.388 -9.703 -0.929 1.00 0.00 N ATOM 780 CA SER A 55 15.966 -10.821 -0.187 1.00 0.00 C ATOM 781 C SER A 55 15.528 -10.814 1.276 1.00 0.00 C ATOM 782 O SER A 55 16.331 -11.083 2.171 1.00 0.00 O ATOM 783 CB SER A 55 17.495 -10.787 -0.272 1.00 0.00 C ATOM 784 OG SER A 55 18.056 -12.023 0.137 1.00 0.00 O ATOM 0 H SER A 55 14.649 -9.971 -1.579 1.00 0.00 H new ATOM 0 HA SER A 55 15.600 -11.740 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.801 -10.566 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.880 -9.984 0.356 1.00 0.00 H new ATOM 0 HG SER A 55 17.728 -12.251 1.032 1.00 0.00 H new ATOM 790 N ALA A 56 14.254 -10.519 1.520 1.00 0.00 N ATOM 791 CA ALA A 56 13.732 -10.497 2.874 1.00 0.00 C ATOM 792 C ALA A 56 12.364 -11.165 2.934 1.00 0.00 C ATOM 793 O ALA A 56 12.243 -12.316 3.353 1.00 0.00 O ATOM 794 CB ALA A 56 13.654 -9.069 3.391 1.00 0.00 C ATOM 0 H ALA A 56 13.570 -10.293 0.798 1.00 0.00 H new ATOM 0 HA ALA A 56 14.413 -11.058 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.261 -9.071 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.650 -8.626 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.995 -8.485 2.748 1.00 0.00 H new ATOM 800 N ARG A 57 11.338 -10.429 2.512 1.00 0.00 N ATOM 801 CA ARG A 57 9.965 -10.928 2.511 1.00 0.00 C ATOM 802 C ARG A 57 8.964 -9.779 2.408 1.00 0.00 C ATOM 803 O ARG A 57 9.348 -8.614 2.280 1.00 0.00 O ATOM 804 CB ARG A 57 9.697 -11.717 3.789 1.00 0.00 C ATOM 805 CG ARG A 57 9.666 -13.224 3.583 1.00 0.00 C ATOM 806 CD ARG A 57 8.388 -13.839 4.131 1.00 0.00 C ATOM 807 NE ARG A 57 7.447 -14.182 3.068 1.00 0.00 N ATOM 808 CZ ARG A 57 7.548 -15.272 2.310 1.00 0.00 C ATOM 809 NH1 ARG A 57 8.539 -16.134 2.505 1.00 0.00 N ATOM 810 NH2 ARG A 57 6.656 -15.502 1.357 1.00 0.00 N ATOM 0 H ARG A 57 11.434 -9.475 2.163 1.00 0.00 H new ATOM 0 HA ARG A 57 9.843 -11.577 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.466 -11.475 4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.744 -11.397 4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.751 -13.448 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.528 -13.676 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.632 -14.735 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.916 -13.140 4.821 1.00 0.00 H new ATOM 0 HE ARG A 57 6.666 -13.549 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.227 -15.963 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.612 -16.968 1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.892 -14.844 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.734 -16.337 0.777 1.00 0.00 H new ATOM 824 N THR A 58 7.679 -10.117 2.478 1.00 0.00 N ATOM 825 CA THR A 58 6.618 -9.124 2.408 1.00 0.00 C ATOM 826 C THR A 58 5.843 -9.086 3.722 1.00 0.00 C ATOM 827 O THR A 58 6.136 -9.843 4.648 1.00 0.00 O ATOM 828 CB THR A 58 5.671 -9.440 1.249 1.00 0.00 C ATOM 829 OG1 THR A 58 6.168 -10.511 0.467 1.00 0.00 O ATOM 830 CG2 THR A 58 5.444 -8.266 0.325 1.00 0.00 C ATOM 0 H THR A 58 7.349 -11.076 2.584 1.00 0.00 H new ATOM 0 HA THR A 58 7.068 -8.146 2.237 1.00 0.00 H new ATOM 0 HB THR A 58 4.723 -9.703 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.546 -10.697 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.763 -8.558 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.010 -7.439 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.395 -7.952 -0.105 1.00 0.00 H new ATOM 838 N TYR A 59 4.857 -8.202 3.798 1.00 0.00 N ATOM 839 CA TYR A 59 4.044 -8.065 4.997 1.00 0.00 C ATOM 840 C TYR A 59 2.589 -7.810 4.629 1.00 0.00 C ATOM 841 O TYR A 59 2.297 -7.006 3.744 1.00 0.00 O ATOM 842 CB TYR A 59 4.574 -6.919 5.857 1.00 0.00 C ATOM 843 CG TYR A 59 3.772 -6.676 7.118 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.230 -7.736 7.836 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.558 -5.387 7.589 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.498 -7.517 8.987 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.828 -5.160 8.741 1.00 0.00 C ATOM 848 CZ TYR A 59 2.300 -6.228 9.435 1.00 0.00 C ATOM 849 OH TYR A 59 1.572 -6.006 10.582 1.00 0.00 O ATOM 0 H TYR A 59 4.601 -7.568 3.041 1.00 0.00 H new ATOM 0 HA TYR A 59 4.101 -8.994 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.607 -7.131 6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.583 -6.006 5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.384 -8.747 7.488 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.969 -4.548 7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.083 -8.351 9.533 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.672 -4.152 9.095 1.00 0.00 H new ATOM 0 HH TYR A 59 1.527 -5.043 10.760 1.00 0.00 H new ATOM 859 N TYR A 60 1.681 -8.503 5.304 1.00 0.00 N ATOM 860 CA TYR A 60 0.262 -8.355 5.043 1.00 0.00 C ATOM 861 C TYR A 60 -0.485 -7.959 6.310 1.00 0.00 C ATOM 862 O TYR A 60 0.023 -8.117 7.420 1.00 0.00 O ATOM 863 CB TYR A 60 -0.300 -9.667 4.510 1.00 0.00 C ATOM 864 CG TYR A 60 -0.098 -9.870 3.025 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.876 -9.189 2.097 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.869 -10.749 2.553 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.694 -9.378 0.739 1.00 0.00 C ATOM 868 CE2 TYR A 60 1.056 -10.943 1.198 1.00 0.00 C ATOM 869 CZ TYR A 60 0.272 -10.256 0.295 1.00 0.00 C ATOM 870 OH TYR A 60 0.453 -10.450 -1.055 1.00 0.00 O ATOM 0 H TYR A 60 1.907 -9.174 6.038 1.00 0.00 H new ATOM 0 HA TYR A 60 0.129 -7.567 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.167 -10.494 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.367 -9.708 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.634 -8.502 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.485 -11.289 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.306 -8.840 0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.813 -11.629 0.848 1.00 0.00 H new ATOM 0 HH TYR A 60 1.390 -10.676 -1.230 1.00 0.00 H new ATOM 880 N ALA A 61 -1.702 -7.462 6.135 1.00 0.00 N ATOM 881 CA ALA A 61 -2.536 -7.063 7.260 1.00 0.00 C ATOM 882 C ALA A 61 -3.654 -8.076 7.464 1.00 0.00 C ATOM 883 O ALA A 61 -4.029 -8.785 6.532 1.00 0.00 O ATOM 884 CB ALA A 61 -3.109 -5.672 7.030 1.00 0.00 C ATOM 0 H ALA A 61 -2.135 -7.325 5.221 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.922 -7.034 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.730 -5.389 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.294 -4.956 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.714 -5.673 6.123 1.00 0.00 H new ATOM 890 N SER A 62 -4.184 -8.153 8.680 1.00 0.00 N ATOM 891 CA SER A 62 -5.251 -9.099 8.981 1.00 0.00 C ATOM 892 C SER A 62 -6.617 -8.564 8.560 1.00 0.00 C ATOM 893 O SER A 62 -7.630 -8.842 9.202 1.00 0.00 O ATOM 894 CB SER A 62 -5.255 -9.446 10.471 1.00 0.00 C ATOM 895 OG SER A 62 -5.366 -10.844 10.670 1.00 0.00 O ATOM 0 H SER A 62 -3.894 -7.575 9.469 1.00 0.00 H new ATOM 0 HA SER A 62 -5.057 -10.004 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.338 -9.081 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.085 -8.939 10.963 1.00 0.00 H new ATOM 0 HG SER A 62 -5.365 -11.039 11.630 1.00 0.00 H new ATOM 901 N SER A 63 -6.634 -7.817 7.468 1.00 0.00 N ATOM 902 CA SER A 63 -7.867 -7.257 6.933 1.00 0.00 C ATOM 903 C SER A 63 -8.085 -7.734 5.497 1.00 0.00 C ATOM 904 O SER A 63 -9.181 -7.613 4.950 1.00 0.00 O ATOM 905 CB SER A 63 -7.821 -5.729 6.976 1.00 0.00 C ATOM 906 OG SER A 63 -8.987 -5.167 6.399 1.00 0.00 O ATOM 0 H SER A 63 -5.800 -7.582 6.930 1.00 0.00 H new ATOM 0 HA SER A 63 -8.699 -7.600 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.725 -5.394 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.940 -5.373 6.442 1.00 0.00 H new ATOM 0 HG SER A 63 -9.323 -5.761 5.696 1.00 0.00 H new ATOM 912 N VAL A 64 -7.026 -8.276 4.894 1.00 0.00 N ATOM 913 CA VAL A 64 -7.088 -8.770 3.526 1.00 0.00 C ATOM 914 C VAL A 64 -6.003 -9.815 3.265 1.00 0.00 C ATOM 915 O VAL A 64 -5.654 -10.079 2.115 1.00 0.00 O ATOM 916 CB VAL A 64 -6.916 -7.619 2.521 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.137 -6.713 2.529 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.651 -6.831 2.834 1.00 0.00 C ATOM 0 H VAL A 64 -6.113 -8.382 5.337 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.068 -9.229 3.395 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.819 -8.041 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.995 -5.905 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.020 -7.290 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.272 -6.293 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.541 -6.019 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.719 -6.418 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.786 -7.491 2.771 1.00 0.00 H new ATOM 928 N ARG A 65 -5.467 -10.405 4.334 1.00 0.00 N ATOM 929 CA ARG A 65 -4.427 -11.407 4.211 1.00 0.00 C ATOM 930 C ARG A 65 -4.957 -12.654 3.531 1.00 0.00 C ATOM 931 O ARG A 65 -5.284 -13.650 4.176 1.00 0.00 O ATOM 932 CB ARG A 65 -3.871 -11.755 5.587 1.00 0.00 C ATOM 933 CG ARG A 65 -2.407 -12.151 5.571 1.00 0.00 C ATOM 934 CD ARG A 65 -2.233 -13.662 5.541 1.00 0.00 C ATOM 935 NE ARG A 65 -1.597 -14.118 4.307 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.308 -13.938 4.026 1.00 0.00 C ATOM 937 NH1 ARG A 65 0.483 -13.304 4.883 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.190 -14.391 2.884 1.00 0.00 N ATOM 0 H ARG A 65 -5.742 -10.200 5.295 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.626 -10.997 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.999 -10.898 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.455 -12.573 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.921 -11.711 4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.911 -11.745 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.632 -13.974 6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.207 -14.141 5.645 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.175 -14.603 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.104 -12.952 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.470 -13.169 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.414 -14.877 2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.177 -14.253 2.668 1.00 0.00 H new ATOM 952 N GLY A 66 -5.031 -12.577 2.219 1.00 0.00 N ATOM 953 CA GLY A 66 -5.515 -13.685 1.427 1.00 0.00 C ATOM 954 C GLY A 66 -6.302 -13.238 0.209 1.00 0.00 C ATOM 955 O GLY A 66 -6.744 -14.068 -0.585 1.00 0.00 O ATOM 0 H GLY A 66 -4.761 -11.755 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.669 -14.292 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.146 -14.321 2.048 1.00 0.00 H new ATOM 959 N ARG A 67 -6.483 -11.927 0.058 1.00 0.00 N ATOM 960 CA ARG A 67 -7.231 -11.395 -1.079 1.00 0.00 C ATOM 961 C ARG A 67 -6.428 -10.339 -1.838 1.00 0.00 C ATOM 962 O ARG A 67 -6.514 -10.248 -3.061 1.00 0.00 O ATOM 963 CB ARG A 67 -8.563 -10.804 -0.612 1.00 0.00 C ATOM 964 CG ARG A 67 -8.412 -9.660 0.376 1.00 0.00 C ATOM 965 CD ARG A 67 -9.655 -8.784 0.410 1.00 0.00 C ATOM 966 NE ARG A 67 -10.597 -9.207 1.444 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.550 -8.424 1.945 1.00 0.00 C ATOM 968 NH1 ARG A 67 -11.695 -7.179 1.506 1.00 0.00 N ATOM 969 NH2 ARG A 67 -12.362 -8.886 2.886 1.00 0.00 N ATOM 0 H ARG A 67 -6.126 -11.220 0.701 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.425 -12.223 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.118 -10.451 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.159 -11.593 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.221 -10.061 1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.547 -9.055 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.364 -7.749 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.147 -8.815 -0.562 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.520 -10.159 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.074 -6.818 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.427 -6.584 1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.257 -9.842 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.092 -8.286 3.270 1.00 0.00 H new ATOM 983 N PHE A 68 -5.655 -9.539 -1.110 1.00 0.00 N ATOM 984 CA PHE A 68 -4.850 -8.489 -1.726 1.00 0.00 C ATOM 985 C PHE A 68 -3.430 -8.976 -2.009 1.00 0.00 C ATOM 986 O PHE A 68 -2.879 -9.786 -1.263 1.00 0.00 O ATOM 987 CB PHE A 68 -4.805 -7.255 -0.819 1.00 0.00 C ATOM 988 CG PHE A 68 -6.101 -6.487 -0.750 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.276 -7.008 -1.277 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.142 -5.237 -0.151 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.460 -6.298 -1.207 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.323 -4.524 -0.078 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.483 -5.055 -0.607 1.00 0.00 C ATOM 0 H PHE A 68 -5.569 -9.597 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.316 -8.223 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.528 -7.568 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.019 -6.587 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.264 -7.980 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.239 -4.815 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.366 -6.715 -1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.339 -3.552 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.407 -4.498 -0.551 1.00 0.00 H new ATOM 1003 N THR A 69 -2.842 -8.468 -3.089 1.00 0.00 N ATOM 1004 CA THR A 69 -1.485 -8.839 -3.475 1.00 0.00 C ATOM 1005 C THR A 69 -0.550 -7.651 -3.331 1.00 0.00 C ATOM 1006 O THR A 69 -0.978 -6.499 -3.387 1.00 0.00 O ATOM 1007 CB THR A 69 -1.461 -9.349 -4.915 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.547 -10.226 -5.156 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.187 -10.087 -5.268 1.00 0.00 C ATOM 0 H THR A 69 -3.287 -7.796 -3.714 1.00 0.00 H new ATOM 0 HA THR A 69 -1.146 -9.636 -2.814 1.00 0.00 H new ATOM 0 HB THR A 69 -1.529 -8.457 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.514 -10.540 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.236 -10.422 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.666 -9.421 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.073 -10.950 -4.612 1.00 0.00 H new ATOM 1017 N ILE A 70 0.727 -7.946 -3.132 1.00 0.00 N ATOM 1018 CA ILE A 70 1.735 -6.915 -2.957 1.00 0.00 C ATOM 1019 C ILE A 70 3.067 -7.349 -3.557 1.00 0.00 C ATOM 1020 O ILE A 70 3.520 -8.474 -3.349 1.00 0.00 O ATOM 1021 CB ILE A 70 1.901 -6.595 -1.463 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.825 -5.392 -1.246 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.395 -7.823 -0.714 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.263 -5.638 -1.629 1.00 0.00 C ATOM 0 H ILE A 70 1.089 -8.898 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 70 1.406 -6.017 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 70 0.926 -6.321 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.446 -4.549 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.785 -5.103 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.509 -7.583 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.674 -8.633 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.357 -8.135 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.848 -4.737 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.663 -6.459 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.319 -5.896 -2.686 1.00 0.00 H new ATOM 1036 N SER A 71 3.687 -6.442 -4.301 1.00 0.00 N ATOM 1037 CA SER A 71 4.970 -6.718 -4.938 1.00 0.00 C ATOM 1038 C SER A 71 5.658 -5.421 -5.356 1.00 0.00 C ATOM 1039 O SER A 71 5.197 -4.329 -5.026 1.00 0.00 O ATOM 1040 CB SER A 71 4.773 -7.624 -6.155 1.00 0.00 C ATOM 1041 OG SER A 71 5.070 -8.973 -5.840 1.00 0.00 O ATOM 0 H SER A 71 3.322 -5.506 -4.479 1.00 0.00 H new ATOM 0 HA SER A 71 5.607 -7.228 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.744 -7.547 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.414 -7.288 -6.970 1.00 0.00 H new ATOM 0 HG SER A 71 4.660 -9.206 -4.981 1.00 0.00 H new ATOM 1047 N ARG A 72 6.763 -5.549 -6.085 1.00 0.00 N ATOM 1048 CA ARG A 72 7.512 -4.386 -6.549 1.00 0.00 C ATOM 1049 C ARG A 72 7.892 -4.537 -8.019 1.00 0.00 C ATOM 1050 O ARG A 72 7.983 -5.651 -8.535 1.00 0.00 O ATOM 1051 CB ARG A 72 8.773 -4.187 -5.703 1.00 0.00 C ATOM 1052 CG ARG A 72 9.466 -5.487 -5.320 1.00 0.00 C ATOM 1053 CD ARG A 72 9.239 -5.834 -3.856 1.00 0.00 C ATOM 1054 NE ARG A 72 8.562 -7.118 -3.695 1.00 0.00 N ATOM 1055 CZ ARG A 72 9.180 -8.296 -3.760 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.486 -8.357 -3.987 1.00 0.00 N ATOM 1057 NH2 ARG A 72 8.489 -9.415 -3.598 1.00 0.00 N ATOM 0 H ARG A 72 7.159 -6.446 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 72 6.873 -3.510 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.474 -3.561 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.508 -3.646 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.094 -6.297 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.535 -5.400 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.197 -5.862 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.645 -5.050 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 72 7.557 -7.112 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.022 -7.499 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.953 -9.262 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.485 -9.374 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.961 -10.318 -3.648 1.00 0.00 H new ATOM 1071 N ASP A 73 8.112 -3.409 -8.689 1.00 0.00 N ATOM 1072 CA ASP A 73 8.481 -3.423 -10.102 1.00 0.00 C ATOM 1073 C ASP A 73 9.885 -3.988 -10.296 1.00 0.00 C ATOM 1074 O ASP A 73 10.198 -4.549 -11.346 1.00 0.00 O ATOM 1075 CB ASP A 73 8.400 -2.013 -10.690 1.00 0.00 C ATOM 1076 CG ASP A 73 8.746 -1.979 -12.166 1.00 0.00 C ATOM 1077 OD1 ASP A 73 9.873 -2.383 -12.522 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.889 -1.550 -12.967 1.00 0.00 O ATOM 0 H ASP A 73 8.042 -2.478 -8.279 1.00 0.00 H new ATOM 0 HA ASP A 73 7.775 -4.067 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.393 -1.620 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.079 -1.356 -10.146 1.00 0.00 H new ATOM 1083 N ASN A 74 10.728 -3.834 -9.280 1.00 0.00 N ATOM 1084 CA ASN A 74 12.100 -4.328 -9.342 1.00 0.00 C ATOM 1085 C ASN A 74 12.912 -3.561 -10.384 1.00 0.00 C ATOM 1086 O ASN A 74 13.914 -4.062 -10.894 1.00 0.00 O ATOM 1087 CB ASN A 74 12.114 -5.825 -9.664 1.00 0.00 C ATOM 1088 CG ASN A 74 12.530 -6.669 -8.475 1.00 0.00 C ATOM 1089 OD1 ASN A 74 12.471 -6.221 -7.330 1.00 0.00 O ATOM 1090 ND2 ASN A 74 12.954 -7.899 -8.742 1.00 0.00 N ATOM 0 H ASN A 74 10.486 -3.371 -8.404 1.00 0.00 H new ATOM 0 HA ASN A 74 12.559 -4.171 -8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.122 -6.132 -9.994 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.797 -6.009 -10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.247 -8.514 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.986 -8.229 -9.707 1.00 0.00 H new ATOM 1097 N ALA A 75 12.475 -2.344 -10.694 1.00 0.00 N ATOM 1098 CA ALA A 75 13.164 -1.512 -11.671 1.00 0.00 C ATOM 1099 C ALA A 75 13.990 -0.433 -10.981 1.00 0.00 C ATOM 1100 O ALA A 75 15.203 -0.349 -11.170 1.00 0.00 O ATOM 1101 CB ALA A 75 12.163 -0.884 -12.629 1.00 0.00 C ATOM 0 H ALA A 75 11.647 -1.913 -10.282 1.00 0.00 H new ATOM 0 HA ALA A 75 13.844 -2.146 -12.241 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.692 -0.265 -13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.618 -1.670 -13.152 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.461 -0.267 -12.068 1.00 0.00 H new ATOM 1107 N LYS A 76 13.323 0.388 -10.177 1.00 0.00 N ATOM 1108 CA LYS A 76 13.994 1.462 -9.453 1.00 0.00 C ATOM 1109 C LYS A 76 13.616 1.435 -7.976 1.00 0.00 C ATOM 1110 O LYS A 76 14.485 1.375 -7.107 1.00 0.00 O ATOM 1111 CB LYS A 76 13.644 2.824 -10.061 1.00 0.00 C ATOM 1112 CG LYS A 76 12.203 2.935 -10.536 1.00 0.00 C ATOM 1113 CD LYS A 76 12.001 4.152 -11.424 1.00 0.00 C ATOM 1114 CE LYS A 76 12.591 3.938 -12.809 1.00 0.00 C ATOM 1115 NZ LYS A 76 11.772 2.997 -13.622 1.00 0.00 N ATOM 0 H LYS A 76 12.318 0.330 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 76 15.069 1.307 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.833 3.601 -9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.310 3.017 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.929 2.034 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.539 2.998 -9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.936 4.367 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.465 5.022 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.663 4.896 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.605 3.549 -12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.084 3.032 -14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.889 2.030 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.770 3.270 -13.565 1.00 0.00 H new ATOM 1129 N LYS A 77 12.312 1.467 -7.702 1.00 0.00 N ATOM 1130 CA LYS A 77 11.800 1.437 -6.339 1.00 0.00 C ATOM 1131 C LYS A 77 10.304 1.742 -6.319 1.00 0.00 C ATOM 1132 O LYS A 77 9.889 2.835 -5.932 1.00 0.00 O ATOM 1133 CB LYS A 77 12.546 2.437 -5.446 1.00 0.00 C ATOM 1134 CG LYS A 77 12.036 2.478 -4.014 1.00 0.00 C ATOM 1135 CD LYS A 77 12.515 3.724 -3.287 1.00 0.00 C ATOM 1136 CE LYS A 77 13.687 3.418 -2.367 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.844 2.851 -3.113 1.00 0.00 N ATOM 0 H LYS A 77 11.587 1.514 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 77 11.963 0.433 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.606 2.182 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.461 3.433 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.946 2.452 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.376 1.591 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.810 4.480 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.695 4.145 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.996 4.330 -1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.371 2.714 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.692 2.877 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.637 1.867 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.012 3.413 -3.972 1.00 0.00 H new ATOM 1151 N THR A 78 9.496 0.771 -6.736 1.00 0.00 N ATOM 1152 CA THR A 78 8.047 0.945 -6.760 1.00 0.00 C ATOM 1153 C THR A 78 7.333 -0.301 -6.252 1.00 0.00 C ATOM 1154 O THR A 78 7.730 -1.429 -6.552 1.00 0.00 O ATOM 1155 CB THR A 78 7.562 1.268 -8.172 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.265 2.376 -8.705 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.081 1.585 -8.238 1.00 0.00 C ATOM 0 H THR A 78 9.818 -0.141 -7.061 1.00 0.00 H new ATOM 0 HA THR A 78 7.810 1.779 -6.100 1.00 0.00 H new ATOM 0 HB THR A 78 7.750 0.367 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.940 2.565 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.802 1.805 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.509 0.728 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.866 2.450 -7.611 1.00 0.00 H new ATOM 1165 N VAL A 79 6.269 -0.082 -5.490 1.00 0.00 N ATOM 1166 CA VAL A 79 5.477 -1.172 -4.939 1.00 0.00 C ATOM 1167 C VAL A 79 4.061 -1.150 -5.500 1.00 0.00 C ATOM 1168 O VAL A 79 3.438 -0.094 -5.594 1.00 0.00 O ATOM 1169 CB VAL A 79 5.412 -1.103 -3.403 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.802 -1.239 -2.803 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.749 0.189 -2.949 1.00 0.00 C ATOM 0 H VAL A 79 5.934 0.848 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 79 5.969 -2.101 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 79 4.805 -1.936 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.736 -1.188 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.233 -2.197 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.436 -0.430 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.714 0.217 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.323 1.040 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.735 0.237 -3.346 1.00 0.00 H new ATOM 1181 N TYR A 80 3.559 -2.320 -5.874 1.00 0.00 N ATOM 1182 CA TYR A 80 2.218 -2.429 -6.430 1.00 0.00 C ATOM 1183 C TYR A 80 1.385 -3.431 -5.639 1.00 0.00 C ATOM 1184 O TYR A 80 1.817 -4.560 -5.402 1.00 0.00 O ATOM 1185 CB TYR A 80 2.286 -2.851 -7.898 1.00 0.00 C ATOM 1186 CG TYR A 80 3.173 -1.979 -8.746 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.534 -1.887 -8.496 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.647 -1.260 -9.810 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.346 -1.101 -9.281 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.454 -0.470 -10.599 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.801 -0.394 -10.331 1.00 0.00 C ATOM 1192 OH TYR A 80 5.610 0.393 -11.122 1.00 0.00 O ATOM 0 H TYR A 80 4.060 -3.205 -5.802 1.00 0.00 H new ATOM 0 HA TYR A 80 1.741 -1.451 -6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.644 -3.879 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.279 -2.842 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.963 -2.440 -7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.590 -1.321 -10.023 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.404 -1.038 -9.075 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.032 0.086 -11.423 1.00 0.00 H new ATOM 0 HH TYR A 80 5.069 0.822 -11.818 1.00 0.00 H new ATOM 1202 N LEU A 81 0.187 -3.018 -5.236 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.700 -3.888 -4.478 1.00 0.00 C ATOM 1204 C LEU A 81 -1.993 -4.136 -5.253 1.00 0.00 C ATOM 1205 O LEU A 81 -2.734 -3.204 -5.570 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.972 -3.297 -3.082 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.396 -2.795 -2.808 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.708 -2.871 -1.321 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.565 -1.371 -3.316 1.00 0.00 C ATOM 0 H LEU A 81 -0.189 -2.088 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.213 -4.853 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.731 -4.057 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.283 -2.467 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.098 -3.436 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.721 -2.511 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.625 -3.904 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.001 -2.252 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.581 -1.031 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.855 -0.717 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.380 -1.343 -4.390 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.237 -5.401 -5.566 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.419 -5.805 -6.321 1.00 0.00 C ATOM 1223 C GLN A 82 -4.559 -6.198 -5.385 1.00 0.00 C ATOM 1224 O GLN A 82 -4.558 -7.288 -4.815 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.045 -6.977 -7.228 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.058 -7.386 -8.294 1.00 0.00 C ATOM 1227 CD GLN A 82 -5.417 -6.782 -8.089 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -6.406 -7.480 -7.877 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -5.463 -5.473 -8.154 1.00 0.00 N ATOM 0 H GLN A 82 -1.625 -6.175 -5.306 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.765 -4.965 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.109 -6.731 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.851 -7.844 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.682 -7.092 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.149 -8.472 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.611 -4.941 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.351 -4.987 -8.026 1.00 0.00 H new ATOM 1238 N MET A 83 -5.529 -5.305 -5.230 1.00 0.00 N ATOM 1239 CA MET A 83 -6.671 -5.560 -4.360 1.00 0.00 C ATOM 1240 C MET A 83 -7.825 -6.196 -5.127 1.00 0.00 C ATOM 1241 O MET A 83 -8.700 -5.497 -5.639 1.00 0.00 O ATOM 1242 CB MET A 83 -7.141 -4.258 -3.715 1.00 0.00 C ATOM 1243 CG MET A 83 -6.012 -3.419 -3.161 1.00 0.00 C ATOM 1244 SD MET A 83 -6.423 -1.665 -3.081 1.00 0.00 S ATOM 1245 CE MET A 83 -5.756 -1.236 -1.477 1.00 0.00 C ATOM 0 H MET A 83 -5.548 -4.398 -5.695 1.00 0.00 H new ATOM 0 HA MET A 83 -6.349 -6.257 -3.586 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.690 -3.673 -4.453 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.839 -4.491 -2.911 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.757 -3.774 -2.163 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.127 -3.553 -3.783 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.234 -0.326 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.945 -2.048 -0.775 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.682 -1.072 -1.562 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.829 -7.523 -5.199 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.882 -8.244 -5.896 1.00 0.00 C ATOM 1257 C ASN A 84 -10.068 -8.491 -4.971 1.00 0.00 C ATOM 1258 O ASN A 84 -10.017 -8.173 -3.783 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.367 -9.581 -6.442 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.854 -9.712 -6.413 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.220 -9.515 -5.377 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.268 -10.046 -7.557 1.00 0.00 N ATOM 0 H ASN A 84 -7.114 -8.119 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.206 -7.626 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.804 -10.393 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.713 -9.701 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.254 -10.148 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.832 -10.200 -8.393 1.00 0.00 H new ATOM 1269 N SER A 85 -11.129 -9.071 -5.529 1.00 0.00 N ATOM 1270 CA SER A 85 -12.344 -9.382 -4.772 1.00 0.00 C ATOM 1271 C SER A 85 -12.640 -8.323 -3.709 1.00 0.00 C ATOM 1272 O SER A 85 -12.867 -8.646 -2.543 1.00 0.00 O ATOM 1273 CB SER A 85 -12.209 -10.755 -4.115 1.00 0.00 C ATOM 1274 OG SER A 85 -13.440 -11.456 -4.139 1.00 0.00 O ATOM 0 H SER A 85 -11.173 -9.338 -6.512 1.00 0.00 H new ATOM 0 HA SER A 85 -13.179 -9.389 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.446 -11.336 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.874 -10.637 -3.084 1.00 0.00 H new ATOM 0 HG SER A 85 -13.326 -12.332 -3.714 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.634 -7.060 -4.120 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.899 -5.960 -3.202 1.00 0.00 C ATOM 1282 C LEU A 86 -14.296 -6.079 -2.603 1.00 0.00 C ATOM 1283 O LEU A 86 -15.154 -6.785 -3.133 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.742 -4.616 -3.920 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.701 -3.675 -3.309 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.317 -3.979 -3.861 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.074 -2.223 -3.572 1.00 0.00 C ATOM 0 H LEU A 86 -12.449 -6.773 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.173 -6.011 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.473 -4.805 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.707 -4.110 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.684 -3.836 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.590 -3.300 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.047 -5.008 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.320 -3.848 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.323 -1.569 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.121 -2.048 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.046 -2.011 -3.127 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.512 -5.389 -1.490 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.802 -5.418 -0.808 1.00 0.00 C ATOM 1301 C LYS A 87 -16.245 -4.009 -0.419 1.00 0.00 C ATOM 1302 O LYS A 87 -15.487 -3.050 -0.567 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.716 -6.308 0.434 1.00 0.00 C ATOM 1304 CG LYS A 87 -16.443 -7.635 0.282 1.00 0.00 C ATOM 1305 CD LYS A 87 -15.627 -8.788 0.845 1.00 0.00 C ATOM 1306 CE LYS A 87 -16.093 -10.123 0.289 1.00 0.00 C ATOM 1307 NZ LYS A 87 -15.816 -10.246 -1.168 1.00 0.00 N ATOM 0 H LYS A 87 -13.810 -4.802 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.544 -5.830 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.667 -6.501 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.132 -5.770 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.404 -7.585 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.652 -7.817 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.574 -8.641 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.709 -8.797 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.594 -10.932 0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.163 -10.236 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.825 -11.250 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.546 -9.736 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.883 -9.839 -1.380 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.485 -3.862 0.086 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.022 -2.559 0.493 1.00 0.00 C ATOM 1323 C PRO A 88 -17.465 -2.073 1.829 1.00 0.00 C ATOM 1324 O PRO A 88 -17.885 -1.039 2.347 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.522 -2.825 0.604 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.619 -4.264 0.973 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.462 -4.950 0.295 1.00 0.00 C ATOM 0 HA PRO A 88 -17.757 -1.773 -0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.983 -2.189 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.032 -2.621 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.569 -4.393 2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.569 -4.687 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.049 -5.746 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.763 -5.405 -0.649 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.518 -2.821 2.378 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.899 -2.473 3.644 1.00 0.00 C ATOM 1337 C GLU A 89 -14.507 -1.877 3.421 1.00 0.00 C ATOM 1338 O GLU A 89 -13.947 -1.235 4.309 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.818 -3.721 4.527 1.00 0.00 C ATOM 1340 CG GLU A 89 -14.995 -3.533 5.785 1.00 0.00 C ATOM 1341 CD GLU A 89 -15.729 -2.749 6.854 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -15.817 -1.509 6.726 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -16.217 -3.374 7.820 1.00 0.00 O ATOM 0 H GLU A 89 -16.161 -3.680 1.960 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.506 -1.719 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.828 -4.022 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.392 -4.538 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.718 -4.510 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.068 -3.017 5.534 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.957 -2.089 2.227 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.640 -1.572 1.889 1.00 0.00 C ATOM 1352 C ASP A 90 -12.705 -0.087 1.543 1.00 0.00 C ATOM 1353 O ASP A 90 -11.685 0.602 1.537 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.056 -2.356 0.714 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.502 -3.704 1.134 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.652 -3.737 2.048 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.920 -4.725 0.549 1.00 0.00 O ATOM 0 H ASP A 90 -14.407 -2.617 1.479 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.995 -1.691 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.829 -2.503 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.264 -1.770 0.248 1.00 0.00 H new ATOM 1362 N THR A 91 -13.910 0.403 1.258 1.00 0.00 N ATOM 1363 CA THR A 91 -14.109 1.801 0.915 1.00 0.00 C ATOM 1364 C THR A 91 -13.476 2.718 1.959 1.00 0.00 C ATOM 1365 O THR A 91 -14.026 2.911 3.044 1.00 0.00 O ATOM 1366 CB THR A 91 -15.604 2.076 0.804 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.175 1.288 -0.223 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.937 3.525 0.517 1.00 0.00 C ATOM 0 H THR A 91 -14.764 -0.154 1.259 1.00 0.00 H new ATOM 0 HA THR A 91 -13.625 2.005 -0.040 1.00 0.00 H new ATOM 0 HB THR A 91 -16.018 1.822 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 91 -17.135 1.473 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 91 -17.019 3.644 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.551 4.153 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.482 3.823 -0.428 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.316 3.278 1.627 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.614 4.171 2.544 1.00 0.00 C ATOM 1378 C ALA A 92 -10.440 4.866 1.861 1.00 0.00 C ATOM 1379 O ALA A 92 -10.268 4.770 0.646 1.00 0.00 O ATOM 1380 CB ALA A 92 -11.134 3.397 3.764 1.00 0.00 C ATOM 0 H ALA A 92 -11.844 3.130 0.735 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.315 4.942 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.612 4.073 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.990 2.959 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.456 2.604 3.448 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.634 5.565 2.656 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.472 6.278 2.142 1.00 0.00 C ATOM 1388 C VAL A 93 -7.220 5.409 2.229 1.00 0.00 C ATOM 1389 O VAL A 93 -6.716 5.139 3.319 1.00 0.00 O ATOM 1390 CB VAL A 93 -8.243 7.586 2.924 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.966 8.280 2.467 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.442 8.510 2.775 1.00 0.00 C ATOM 0 H VAL A 93 -9.767 5.652 3.664 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.667 6.517 1.097 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.128 7.336 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.829 9.200 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.114 7.621 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.040 8.517 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.265 9.429 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.589 8.748 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.333 8.016 3.163 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.725 4.972 1.075 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.544 4.138 1.016 1.00 0.00 C ATOM 1404 C TYR A 94 -4.291 4.991 0.857 1.00 0.00 C ATOM 1405 O TYR A 94 -4.061 5.581 -0.198 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.679 3.173 -0.154 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.376 1.881 0.203 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -5.733 0.904 0.954 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -7.679 1.638 -0.210 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -6.370 -0.278 1.281 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -8.324 0.459 0.113 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.665 -0.496 0.859 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.304 -1.672 1.184 1.00 0.00 O ATOM 0 H TYR A 94 -7.132 5.187 0.165 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.452 3.577 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.230 3.663 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.686 2.945 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.719 1.071 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.198 2.384 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.856 -1.028 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.338 0.286 -0.217 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.267 -1.575 1.027 1.00 0.00 H new ATOM 1423 N THR A 95 -3.486 5.063 1.912 1.00 0.00 N ATOM 1424 CA THR A 95 -2.263 5.857 1.881 1.00 0.00 C ATOM 1425 C THR A 95 -1.025 4.969 1.851 1.00 0.00 C ATOM 1426 O THR A 95 -0.958 3.956 2.545 1.00 0.00 O ATOM 1427 CB THR A 95 -2.207 6.788 3.092 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.467 7.393 3.319 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.185 7.895 2.948 1.00 0.00 C ATOM 0 H THR A 95 -3.657 4.583 2.796 1.00 0.00 H new ATOM 0 HA THR A 95 -2.275 6.453 0.968 1.00 0.00 H new ATOM 0 HB THR A 95 -1.917 6.154 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.411 7.984 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.197 8.519 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.193 7.461 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.428 8.504 2.077 1.00 0.00 H new ATOM 1437 N CYS A 96 -0.043 5.362 1.046 1.00 0.00 N ATOM 1438 CA CYS A 96 1.198 4.607 0.928 1.00 0.00 C ATOM 1439 C CYS A 96 2.262 5.171 1.865 1.00 0.00 C ATOM 1440 O CYS A 96 2.315 6.378 2.104 1.00 0.00 O ATOM 1441 CB CYS A 96 1.702 4.637 -0.517 1.00 0.00 C ATOM 1442 SG CYS A 96 3.318 3.830 -0.765 1.00 0.00 S ATOM 0 H CYS A 96 -0.083 6.200 0.466 1.00 0.00 H new ATOM 0 HA CYS A 96 0.999 3.574 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.965 4.152 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.773 5.675 -0.843 1.00 0.00 H new ATOM 1447 N GLY A 97 3.107 4.292 2.393 1.00 0.00 N ATOM 1448 CA GLY A 97 4.154 4.725 3.297 1.00 0.00 C ATOM 1449 C GLY A 97 5.404 3.873 3.197 1.00 0.00 C ATOM 1450 O GLY A 97 5.467 2.942 2.394 1.00 0.00 O ATOM 0 H GLY A 97 3.085 3.289 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.408 5.763 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.780 4.695 4.320 1.00 0.00 H new ATOM 1454 N ALA A 98 6.400 4.196 4.015 1.00 0.00 N ATOM 1455 CA ALA A 98 7.657 3.460 4.020 1.00 0.00 C ATOM 1456 C ALA A 98 8.203 3.320 5.436 1.00 0.00 C ATOM 1457 O ALA A 98 7.754 4.006 6.356 1.00 0.00 O ATOM 1458 CB ALA A 98 8.673 4.147 3.121 1.00 0.00 C ATOM 0 H ALA A 98 6.360 4.965 4.684 1.00 0.00 H new ATOM 0 HA ALA A 98 7.468 2.459 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.608 3.587 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.288 4.188 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.852 5.160 3.482 1.00 0.00 H new ATOM 1464 N GLY A 99 9.170 2.425 5.604 1.00 0.00 N ATOM 1465 CA GLY A 99 9.758 2.206 6.912 1.00 0.00 C ATOM 1466 C GLY A 99 11.164 2.762 7.025 1.00 0.00 C ATOM 1467 O GLY A 99 11.772 3.144 6.026 1.00 0.00 O ATOM 0 H GLY A 99 9.557 1.847 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.127 2.669 7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.777 1.137 7.122 1.00 0.00 H new ATOM 1471 N GLU A 100 11.678 2.805 8.250 1.00 0.00 N ATOM 1472 CA GLU A 100 13.020 3.315 8.502 1.00 0.00 C ATOM 1473 C GLU A 100 13.469 2.976 9.920 1.00 0.00 C ATOM 1474 O GLU A 100 12.828 3.367 10.896 1.00 0.00 O ATOM 1475 CB GLU A 100 13.063 4.830 8.285 1.00 0.00 C ATOM 1476 CG GLU A 100 13.695 5.236 6.963 1.00 0.00 C ATOM 1477 CD GLU A 100 14.698 6.362 7.118 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.269 7.513 7.343 1.00 0.00 O ATOM 1479 OE2 GLU A 100 15.913 6.093 7.013 1.00 0.00 O ATOM 0 H GLU A 100 11.184 2.492 9.085 1.00 0.00 H new ATOM 0 HA GLU A 100 13.704 2.838 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.048 5.224 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.620 5.290 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.190 4.372 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.912 5.544 6.270 1.00 0.00 H new ATOM 1486 N GLY A 101 14.572 2.242 10.026 1.00 0.00 N ATOM 1487 CA GLY A 101 15.089 1.856 11.322 1.00 0.00 C ATOM 1488 C GLY A 101 14.129 0.976 12.100 1.00 0.00 C ATOM 1489 O GLY A 101 14.291 0.788 13.306 1.00 0.00 O ATOM 0 H GLY A 101 15.118 1.907 9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 101 16.033 1.327 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.305 2.752 11.903 1.00 0.00 H new ATOM 1493 N GLY A 102 13.126 0.436 11.413 1.00 0.00 N ATOM 1494 CA GLY A 102 12.154 -0.418 12.068 1.00 0.00 C ATOM 1495 C GLY A 102 10.813 0.267 12.253 1.00 0.00 C ATOM 1496 O GLY A 102 9.818 -0.381 12.575 1.00 0.00 O ATOM 0 H GLY A 102 12.970 0.575 10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.017 -1.325 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.540 -0.724 13.041 1.00 0.00 H new ATOM 1500 N THR A 103 10.788 1.582 12.054 1.00 0.00 N ATOM 1501 CA THR A 103 9.570 2.357 12.203 1.00 0.00 C ATOM 1502 C THR A 103 8.969 2.678 10.837 1.00 0.00 C ATOM 1503 O THR A 103 9.516 2.293 9.804 1.00 0.00 O ATOM 1504 CB THR A 103 9.893 3.646 12.952 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.773 3.389 14.032 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.678 4.355 13.511 1.00 0.00 C ATOM 0 H THR A 103 11.605 2.131 11.788 1.00 0.00 H new ATOM 0 HA THR A 103 8.839 1.777 12.766 1.00 0.00 H new ATOM 0 HB THR A 103 10.351 4.296 12.206 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.970 4.227 14.500 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.992 5.261 14.029 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.003 4.617 12.696 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.163 3.697 14.211 1.00 0.00 H new ATOM 1514 N TRP A 104 7.847 3.387 10.837 1.00 0.00 N ATOM 1515 CA TRP A 104 7.176 3.763 9.599 1.00 0.00 C ATOM 1516 C TRP A 104 6.698 5.209 9.661 1.00 0.00 C ATOM 1517 O TRP A 104 5.532 5.477 9.950 1.00 0.00 O ATOM 1518 CB TRP A 104 5.991 2.834 9.331 1.00 0.00 C ATOM 1519 CG TRP A 104 6.401 1.430 9.006 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.780 0.462 9.890 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.474 0.838 7.704 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.084 -0.697 9.218 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.904 -0.492 7.875 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.217 1.302 6.411 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.081 -1.360 6.801 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.394 0.439 5.346 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.822 -0.879 5.547 1.00 0.00 C ATOM 0 H TRP A 104 7.381 3.714 11.684 1.00 0.00 H new ATOM 0 HA TRP A 104 7.893 3.668 8.783 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.342 2.822 10.207 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.404 3.234 8.504 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.833 0.589 10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.393 -1.568 9.649 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.886 2.317 6.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.411 -2.377 6.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.199 0.787 4.342 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.950 -1.529 4.694 1.00 0.00 H new ATOM 1538 N ASP A 105 7.608 6.139 9.392 1.00 0.00 N ATOM 1539 CA ASP A 105 7.280 7.559 9.422 1.00 0.00 C ATOM 1540 C ASP A 105 7.263 8.159 8.016 1.00 0.00 C ATOM 1541 O ASP A 105 7.252 9.379 7.854 1.00 0.00 O ATOM 1542 CB ASP A 105 8.274 8.307 10.301 1.00 0.00 C ATOM 1543 CG ASP A 105 7.937 9.779 10.443 1.00 0.00 C ATOM 1544 OD1 ASP A 105 7.057 10.109 11.266 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.553 10.601 9.733 1.00 0.00 O ATOM 0 H ASP A 105 8.578 5.935 9.151 1.00 0.00 H new ATOM 0 HA ASP A 105 6.279 7.664 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.297 7.847 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.274 8.206 9.879 1.00 0.00 H new ATOM 1550 N SER A 106 7.257 7.299 6.999 1.00 0.00 N ATOM 1551 CA SER A 106 7.237 7.759 5.616 1.00 0.00 C ATOM 1552 C SER A 106 5.858 7.558 4.997 1.00 0.00 C ATOM 1553 O SER A 106 5.282 6.473 5.079 1.00 0.00 O ATOM 1554 CB SER A 106 8.292 7.017 4.793 1.00 0.00 C ATOM 1555 OG SER A 106 8.828 7.850 3.780 1.00 0.00 O ATOM 0 H SER A 106 7.266 6.285 7.108 1.00 0.00 H new ATOM 0 HA SER A 106 7.467 8.824 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.093 6.674 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.848 6.130 4.341 1.00 0.00 H new ATOM 0 HG SER A 106 9.501 7.353 3.270 1.00 0.00 H new ATOM 1561 N TRP A 107 5.332 8.611 4.379 1.00 0.00 N ATOM 1562 CA TRP A 107 4.019 8.549 3.748 1.00 0.00 C ATOM 1563 C TRP A 107 4.028 9.252 2.395 1.00 0.00 C ATOM 1564 O TRP A 107 4.944 10.014 2.084 1.00 0.00 O ATOM 1565 CB TRP A 107 2.962 9.182 4.654 1.00 0.00 C ATOM 1566 CG TRP A 107 3.052 8.729 6.079 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.656 9.386 7.112 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.520 7.519 6.629 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.533 8.658 8.271 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.839 7.507 8.000 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.805 6.443 6.094 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.467 6.463 8.842 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.436 5.407 6.932 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.767 5.423 8.292 1.00 0.00 C ATOM 0 H TRP A 107 5.795 9.517 4.302 1.00 0.00 H new ATOM 0 HA TRP A 107 3.773 7.499 3.590 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.065 10.266 4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.972 8.943 4.266 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.157 10.339 7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.898 8.930 9.184 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.546 6.422 5.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.721 6.473 9.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.883 4.571 6.530 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.464 4.598 8.920 1.00 0.00 H new ATOM 1585 N GLY A 108 3.000 8.990 1.596 1.00 0.00 N ATOM 1586 CA GLY A 108 2.902 9.603 0.284 1.00 0.00 C ATOM 1587 C GLY A 108 1.854 10.697 0.233 1.00 0.00 C ATOM 1588 O GLY A 108 1.958 11.699 0.941 1.00 0.00 O ATOM 0 H GLY A 108 2.231 8.363 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.871 10.019 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.661 8.838 -0.454 1.00 0.00 H new ATOM 1592 N GLN A 109 0.841 10.507 -0.607 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.229 11.484 -0.748 1.00 0.00 C ATOM 1594 C GLN A 109 -1.567 10.895 -0.314 1.00 0.00 C ATOM 1595 O GLN A 109 -2.337 11.537 0.400 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.313 11.974 -2.191 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.922 13.360 -2.330 1.00 0.00 C ATOM 1598 CD GLN A 109 -2.434 13.349 -2.210 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -2.981 13.395 -1.109 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -3.117 13.288 -3.347 1.00 0.00 N ATOM 0 H GLN A 109 0.740 9.683 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.002 12.330 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.688 11.982 -2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.905 11.267 -2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.505 14.014 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.641 13.781 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.622 13.251 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.137 13.278 -3.329 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.836 9.667 -0.747 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.081 9.011 -0.390 1.00 0.00 C ATOM 1611 C GLY A 110 -4.025 8.864 -1.567 1.00 0.00 C ATOM 1612 O GLY A 110 -3.996 9.666 -2.500 1.00 0.00 O ATOM 0 H GLY A 110 -1.215 9.115 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.862 8.025 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.574 9.581 0.397 1.00 0.00 H new ATOM 1616 N THR A 111 -4.867 7.837 -1.518 1.00 0.00 N ATOM 1617 CA THR A 111 -5.831 7.582 -2.582 1.00 0.00 C ATOM 1618 C THR A 111 -7.029 6.813 -2.036 1.00 0.00 C ATOM 1619 O THR A 111 -6.888 5.688 -1.556 1.00 0.00 O ATOM 1620 CB THR A 111 -5.173 6.801 -3.724 1.00 0.00 C ATOM 1621 OG1 THR A 111 -6.050 6.701 -4.832 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.763 5.396 -3.336 1.00 0.00 C ATOM 0 H THR A 111 -4.901 7.166 -0.750 1.00 0.00 H new ATOM 0 HA THR A 111 -6.178 8.539 -2.972 1.00 0.00 H new ATOM 0 HB THR A 111 -4.275 7.365 -3.977 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.580 6.975 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.304 4.901 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.047 5.439 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.642 4.834 -3.021 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.205 7.427 -2.098 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.414 6.804 -1.598 1.00 0.00 C ATOM 1632 C GLN A 112 -9.972 5.805 -2.607 1.00 0.00 C ATOM 1633 O GLN A 112 -9.916 6.027 -3.816 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.446 7.886 -1.286 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.085 7.749 0.089 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.517 7.256 0.032 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.784 6.321 -0.869 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.373 7.711 0.791 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.342 8.358 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.179 6.255 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.967 8.863 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.229 7.858 -2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.493 7.060 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.059 8.715 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.123 8.430 1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.333 7.369 0.741 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.516 4.705 -2.096 1.00 0.00 N ATOM 1648 CA VAL A 113 -11.092 3.670 -2.934 1.00 0.00 C ATOM 1649 C VAL A 113 -12.589 3.550 -2.669 1.00 0.00 C ATOM 1650 O VAL A 113 -13.015 3.429 -1.519 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.408 2.317 -2.666 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.175 1.170 -3.313 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.968 2.344 -3.158 1.00 0.00 C ATOM 0 H VAL A 113 -10.568 4.511 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.934 3.945 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.406 2.149 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.666 0.229 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.186 1.133 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.223 1.326 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.498 1.380 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.953 2.543 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.420 3.128 -2.636 1.00 0.00 H new ATOM 1663 N THR A 114 -13.381 3.594 -3.735 1.00 0.00 N ATOM 1664 CA THR A 114 -14.829 3.497 -3.614 1.00 0.00 C ATOM 1665 C THR A 114 -15.326 2.119 -4.040 1.00 0.00 C ATOM 1666 O THR A 114 -15.093 1.684 -5.167 1.00 0.00 O ATOM 1667 CB THR A 114 -15.503 4.583 -4.456 1.00 0.00 C ATOM 1668 OG1 THR A 114 -15.104 5.871 -4.023 1.00 0.00 O ATOM 1669 CG2 THR A 114 -17.016 4.532 -4.405 1.00 0.00 C ATOM 0 H THR A 114 -13.043 3.696 -4.692 1.00 0.00 H new ATOM 0 HA THR A 114 -15.091 3.643 -2.566 1.00 0.00 H new ATOM 0 HB THR A 114 -15.184 4.391 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.892 6.378 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.428 5.329 -5.024 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.360 3.568 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.350 4.662 -3.376 1.00 0.00 H new ATOM 1677 N VAL A 115 -16.013 1.438 -3.128 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.548 0.109 -3.403 1.00 0.00 C ATOM 1679 C VAL A 115 -18.076 0.108 -3.262 1.00 0.00 C ATOM 1680 O VAL A 115 -18.716 1.136 -3.482 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.921 -0.957 -2.469 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.843 -2.307 -3.172 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.537 -0.522 -2.001 1.00 0.00 C ATOM 0 H VAL A 115 -16.213 1.786 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.287 -0.150 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.562 -1.058 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.400 -3.042 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.846 -2.630 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.227 -2.216 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.117 -1.286 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.887 -0.387 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.616 0.419 -1.456 1.00 0.00 H new ATOM 1693 N SER A 116 -18.660 -1.038 -2.905 1.00 0.00 N ATOM 1694 CA SER A 116 -20.106 -1.145 -2.748 1.00 0.00 C ATOM 1695 C SER A 116 -20.813 -0.954 -4.085 1.00 0.00 C ATOM 1696 O SER A 116 -20.274 -0.334 -5.002 1.00 0.00 O ATOM 1697 CB SER A 116 -20.613 -0.117 -1.736 1.00 0.00 C ATOM 1698 OG SER A 116 -20.119 -0.390 -0.437 1.00 0.00 O ATOM 0 H SER A 116 -18.151 -1.903 -2.720 1.00 0.00 H new ATOM 0 HA SER A 116 -20.331 -2.145 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.304 0.882 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.703 -0.123 -1.722 1.00 0.00 H new ATOM 0 HG SER A 116 -20.457 0.283 0.190 1.00 0.00 H new ATOM 1704 N SER A 117 -22.024 -1.492 -4.189 1.00 0.00 N ATOM 1705 CA SER A 117 -22.806 -1.383 -5.415 1.00 0.00 C ATOM 1706 C SER A 117 -23.202 0.066 -5.680 1.00 0.00 C ATOM 1707 O SER A 117 -24.215 0.283 -6.378 1.00 0.00 O ATOM 1708 CB SER A 117 -24.057 -2.258 -5.327 1.00 0.00 C ATOM 1709 OG SER A 117 -23.890 -3.293 -4.373 1.00 0.00 O ATOM 1710 OXT SER A 117 -22.497 0.971 -5.187 1.00 0.00 O ATOM 0 H SER A 117 -22.485 -2.008 -3.439 1.00 0.00 H new ATOM 0 HA SER A 117 -22.187 -1.729 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 117 -24.916 -1.644 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 117 -24.271 -2.691 -6.304 1.00 0.00 H new ATOM 0 HG SER A 117 -24.704 -3.837 -4.335 1.00 0.00 H new TER 1716 SER A 117