USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 973 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 73 TYR OH : rot 178:sc= -1.94! USER MOD Set 1.2: A 119 ASN : amide:sc= -0.327 K(o=-2.3,f=-5.7!) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.213 USER MOD Set 2.2: A 48 GLN : amide:sc= -0.0635 K(o=-0.28,f=-1.4) USER MOD Set 3.1: A 21 THR OG1 : rot -4:sc= 0.905! USER MOD Set 3.2: A 100 GLN :FLIP amide:sc= -0.612 F(o=-0.58,f=0.29) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.444) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -5.94! C(o=-8.9!,f=-5.9!) USER MOD Single : A 15 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.67) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 1.1 K(o=1.1,f=-0.083) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.241) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= -1.6 (180deg=-5.38!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.7 K(o=-0.7,f=-4.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 63 GLN : amide:sc= -3.56! C(o=-3.6!,f=-8.6!) USER MOD Single : A 64 HIS : no HD1:sc= -22.3! C(o=-22!,f=-26!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc=-0.00414 (180deg=-0.299) USER MOD Single : A 79 HIS : no HD1:sc= -0.0953 K(o=-0.095,f=-2.6) USER MOD Single : A 81 THR OG1 : rot -130:sc= -1.27 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 178:sc= -0.0651 (180deg=-0.0669) USER MOD Single : A 106 SER OG : rot 39:sc= 0.458 USER MOD Single : A 111 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.1!) USER MOD Single : A 125 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.118) USER MOD Single : A 127 LYS NZ :NH3+ 149:sc= -0.166 (180deg=-0.818) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.457 -6.058 -1.599 1.00 0.00 N ATOM 21 CA LYS A 2 -20.451 -5.224 -2.246 1.00 0.00 C ATOM 22 C LYS A 2 -19.045 -5.651 -1.836 1.00 0.00 C ATOM 23 O LYS A 2 -18.589 -5.343 -0.735 1.00 0.00 O ATOM 24 CB LYS A 2 -20.674 -3.753 -1.893 1.00 0.00 C ATOM 25 CG LYS A 2 -20.292 -2.795 -3.009 1.00 0.00 C ATOM 26 CD LYS A 2 -18.893 -2.234 -2.807 1.00 0.00 C ATOM 27 CE LYS A 2 -18.169 -2.054 -4.131 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.033 -1.400 -5.152 1.00 0.00 N ATOM 0 HA LYS A 2 -20.549 -5.350 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.724 -3.604 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.094 -3.510 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.343 -3.312 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.011 -1.977 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.955 -1.275 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.320 -2.904 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.273 -1.454 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.842 -3.026 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.436 -0.934 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.628 -2.117 -5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.639 -0.692 -4.691 1.00 0.00 H new ATOM 42 N LYS A 3 -18.363 -6.360 -2.730 1.00 0.00 N ATOM 43 CA LYS A 3 -17.008 -6.827 -2.461 1.00 0.00 C ATOM 44 C LYS A 3 -15.984 -5.989 -3.217 1.00 0.00 C ATOM 45 O LYS A 3 -16.231 -5.554 -4.341 1.00 0.00 O ATOM 46 CB LYS A 3 -16.868 -8.300 -2.849 1.00 0.00 C ATOM 47 CG LYS A 3 -17.053 -8.558 -4.335 1.00 0.00 C ATOM 48 CD LYS A 3 -16.125 -9.656 -4.831 1.00 0.00 C ATOM 49 CE LYS A 3 -15.530 -9.311 -6.187 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.325 -10.524 -7.028 1.00 0.00 N ATOM 0 H LYS A 3 -18.726 -6.623 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.819 -6.721 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.882 -8.654 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.601 -8.885 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.088 -8.839 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.862 -7.640 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.323 -9.810 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.675 -10.594 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.189 -8.616 -6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.577 -8.801 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.918 -10.247 -7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.676 -11.176 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.238 -10.997 -7.184 1.00 0.00 H new ATOM 64 N LEU A 4 -14.834 -5.763 -2.591 1.00 0.00 N ATOM 65 CA LEU A 4 -13.774 -4.974 -3.206 1.00 0.00 C ATOM 66 C LEU A 4 -12.396 -5.494 -2.800 1.00 0.00 C ATOM 67 O LEU A 4 -12.166 -5.838 -1.641 1.00 0.00 O ATOM 68 CB LEU A 4 -13.917 -3.503 -2.813 1.00 0.00 C ATOM 69 CG LEU A 4 -14.014 -3.240 -1.310 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.638 -2.957 -0.730 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.960 -2.082 -1.029 1.00 0.00 C ATOM 0 H LEU A 4 -14.613 -6.115 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.867 -5.066 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.063 -2.953 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.807 -3.099 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.414 -4.133 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.725 -2.772 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.989 -3.816 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.212 -2.080 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.016 -1.910 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.590 -1.183 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.953 -2.322 -1.410 1.00 0.00 H new ATOM 83 N GLN A 5 -11.488 -5.558 -3.769 1.00 0.00 N ATOM 84 CA GLN A 5 -10.135 -6.044 -3.524 1.00 0.00 C ATOM 85 C GLN A 5 -9.118 -4.910 -3.516 1.00 0.00 C ATOM 86 O GLN A 5 -9.308 -3.878 -4.159 1.00 0.00 O ATOM 87 CB GLN A 5 -9.744 -7.062 -4.585 1.00 0.00 C ATOM 88 CG GLN A 5 -10.791 -8.136 -4.782 1.00 0.00 C ATOM 89 CD GLN A 5 -10.273 -9.331 -5.557 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.823 -9.699 -6.594 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.207 -9.945 -5.055 1.00 0.00 N ATOM 0 H GLN A 5 -11.666 -5.278 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.131 -6.512 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.576 -6.547 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.800 -7.529 -4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.150 -8.469 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.646 -7.711 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.782 -9.606 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.813 -10.756 -5.533 1.00 0.00 H new ATOM 100 N ILE A 6 -8.033 -5.124 -2.785 1.00 0.00 N ATOM 101 CA ILE A 6 -6.967 -4.146 -2.684 1.00 0.00 C ATOM 102 C ILE A 6 -5.612 -4.832 -2.541 1.00 0.00 C ATOM 103 O ILE A 6 -5.431 -5.694 -1.681 1.00 0.00 O ATOM 104 CB ILE A 6 -7.183 -3.210 -1.482 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.533 -2.502 -1.598 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.053 -2.199 -1.388 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.681 -3.297 -1.019 1.00 0.00 C ATOM 0 H ILE A 6 -7.870 -5.977 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.982 -3.558 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.184 -3.807 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.475 -1.540 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.737 -2.296 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.221 -1.544 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.105 -2.723 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.021 -1.603 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.608 -2.735 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.765 -4.249 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.499 -3.481 0.040 1.00 0.00 H new ATOM 119 N ALA A 7 -4.654 -4.425 -3.365 1.00 0.00 N ATOM 120 CA ALA A 7 -3.311 -4.981 -3.300 1.00 0.00 C ATOM 121 C ALA A 7 -2.317 -3.854 -3.131 1.00 0.00 C ATOM 122 O ALA A 7 -2.310 -2.920 -3.919 1.00 0.00 O ATOM 123 CB ALA A 7 -2.992 -5.789 -4.550 1.00 0.00 C ATOM 0 H ALA A 7 -4.783 -3.713 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.247 -5.656 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.982 -6.193 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.704 -6.609 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.061 -5.145 -5.427 1.00 0.00 H new ATOM 129 N VAL A 8 -1.487 -3.918 -2.108 1.00 0.00 N ATOM 130 CA VAL A 8 -0.525 -2.852 -1.891 1.00 0.00 C ATOM 131 C VAL A 8 0.792 -3.379 -1.344 1.00 0.00 C ATOM 132 O VAL A 8 0.862 -4.487 -0.822 1.00 0.00 O ATOM 133 CB VAL A 8 -1.095 -1.753 -0.956 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.579 -1.969 -0.697 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.330 -1.689 0.358 1.00 0.00 C ATOM 0 H VAL A 8 -1.457 -4.677 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.329 -2.406 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.971 -0.797 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.951 -1.184 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.122 -1.938 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.728 -2.940 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.755 -0.909 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.403 -2.649 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.718 -1.463 0.159 1.00 0.00 H new ATOM 145 N GLY A 9 1.826 -2.561 -1.465 1.00 0.00 N ATOM 146 CA GLY A 9 3.134 -2.933 -0.976 1.00 0.00 C ATOM 147 C GLY A 9 3.944 -1.722 -0.564 1.00 0.00 C ATOM 148 O GLY A 9 3.873 -0.675 -1.207 1.00 0.00 O ATOM 0 H GLY A 9 1.780 -1.638 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.026 -3.605 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.669 -3.482 -1.751 1.00 0.00 H new ATOM 152 N ILE A 10 4.720 -1.864 0.500 1.00 0.00 N ATOM 153 CA ILE A 10 5.551 -0.763 0.980 1.00 0.00 C ATOM 154 C ILE A 10 6.938 -0.855 0.360 1.00 0.00 C ATOM 155 O ILE A 10 7.694 -1.773 0.669 1.00 0.00 O ATOM 156 CB ILE A 10 5.686 -0.743 2.529 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.903 -1.890 3.181 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.217 0.594 3.088 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.652 -3.205 3.194 1.00 0.00 C ATOM 0 H ILE A 10 4.794 -2.722 1.046 1.00 0.00 H new ATOM 0 HA ILE A 10 5.056 0.161 0.680 1.00 0.00 H new ATOM 0 HB ILE A 10 6.741 -0.880 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.655 -1.613 4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.961 -2.024 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.318 0.590 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.824 1.397 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.172 0.753 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.037 -3.969 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.877 -3.506 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.582 -3.089 3.751 1.00 0.00 H new ATOM 171 N ILE A 11 7.271 0.093 -0.517 1.00 0.00 N ATOM 172 CA ILE A 11 8.576 0.079 -1.171 1.00 0.00 C ATOM 173 C ILE A 11 9.673 0.435 -0.184 1.00 0.00 C ATOM 174 O ILE A 11 9.736 1.551 0.324 1.00 0.00 O ATOM 175 CB ILE A 11 8.663 1.021 -2.395 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.284 1.275 -3.008 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.599 0.429 -3.442 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.724 2.632 -2.658 1.00 0.00 C ATOM 0 H ILE A 11 6.665 0.868 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 11 8.713 -0.938 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 11 9.058 1.978 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.352 1.185 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.593 0.504 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.655 1.098 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.593 0.306 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.219 -0.541 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.745 2.752 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.626 2.717 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.396 3.408 -3.023 1.00 0.00 H new ATOM 190 N ARG A 12 10.523 -0.544 0.092 1.00 0.00 N ATOM 191 CA ARG A 12 11.621 -0.374 1.036 1.00 0.00 C ATOM 192 C ARG A 12 12.816 0.300 0.382 1.00 0.00 C ATOM 193 O ARG A 12 13.306 -0.147 -0.658 1.00 0.00 O ATOM 194 CB ARG A 12 12.045 -1.725 1.610 1.00 0.00 C ATOM 195 CG ARG A 12 11.378 -2.062 2.931 1.00 0.00 C ATOM 196 CD ARG A 12 12.236 -1.641 4.115 1.00 0.00 C ATOM 197 NE ARG A 12 12.467 -2.745 5.044 1.00 0.00 N ATOM 198 CZ ARG A 12 13.358 -3.712 4.839 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.103 -3.716 3.741 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.506 -4.677 5.736 1.00 0.00 N ATOM 0 H ARG A 12 10.473 -1.472 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 12 11.264 0.266 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.813 -2.506 0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.126 -1.728 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.410 -1.565 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.189 -3.134 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.193 -1.265 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.749 -0.820 4.642 1.00 0.00 H new ATOM 0 HE ARG A 12 11.913 -2.776 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.994 -2.975 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.784 -4.460 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.937 -4.678 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.189 -5.418 5.579 1.00 0.00 H new ATOM 214 N ASN A 13 13.271 1.377 1.017 1.00 0.00 N ATOM 215 CA ASN A 13 14.413 2.150 0.535 1.00 0.00 C ATOM 216 C ASN A 13 15.736 1.549 0.983 1.00 0.00 C ATOM 217 O ASN A 13 15.795 0.452 1.537 1.00 0.00 O ATOM 218 CB ASN A 13 14.335 3.596 1.006 1.00 0.00 C ATOM 219 CG ASN A 13 15.107 4.568 0.128 1.00 0.00 C ATOM 220 OD1 ASN A 13 15.127 4.320 -1.178 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 15.681 5.538 0.622 1.00 0.00 N flip ATOM 0 H ASN A 13 12.860 1.738 1.878 1.00 0.00 H new ATOM 0 HA ASN A 13 14.370 2.121 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.289 3.902 1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.718 3.658 2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.643 5.695 1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.195 6.185 0.024 1.00 0.00 H new ATOM 228 N GLU A 14 16.793 2.293 0.707 1.00 0.00 N ATOM 229 CA GLU A 14 18.156 1.891 1.033 1.00 0.00 C ATOM 230 C GLU A 14 18.499 2.116 2.508 1.00 0.00 C ATOM 231 O GLU A 14 19.588 1.756 2.953 1.00 0.00 O ATOM 232 CB GLU A 14 19.128 2.679 0.155 1.00 0.00 C ATOM 233 CG GLU A 14 20.594 2.449 0.491 1.00 0.00 C ATOM 234 CD GLU A 14 20.960 0.979 0.536 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.701 0.273 -0.461 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.506 0.534 1.568 1.00 0.00 O ATOM 0 H GLU A 14 16.732 3.201 0.247 1.00 0.00 H new ATOM 0 HA GLU A 14 18.241 0.821 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.959 2.410 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.907 3.742 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.216 2.951 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.817 2.905 1.456 1.00 0.00 H new ATOM 243 N ASN A 15 17.587 2.719 3.261 1.00 0.00 N ATOM 244 CA ASN A 15 17.838 2.986 4.677 1.00 0.00 C ATOM 245 C ASN A 15 16.708 2.460 5.557 1.00 0.00 C ATOM 246 O ASN A 15 16.255 3.143 6.477 1.00 0.00 O ATOM 247 CB ASN A 15 18.026 4.488 4.905 1.00 0.00 C ATOM 248 CG ASN A 15 18.415 4.812 6.333 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.529 4.517 6.768 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.497 5.424 7.073 1.00 0.00 N ATOM 0 H ASN A 15 16.676 3.030 2.923 1.00 0.00 H new ATOM 0 HA ASN A 15 18.751 2.461 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.794 4.862 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.101 5.009 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.703 5.668 8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.587 5.650 6.672 1.00 0.00 H new ATOM 257 N ASN A 16 16.259 1.242 5.275 1.00 0.00 N ATOM 258 CA ASN A 16 15.184 0.623 6.045 1.00 0.00 C ATOM 259 C ASN A 16 13.955 1.530 6.123 1.00 0.00 C ATOM 260 O ASN A 16 13.098 1.354 6.989 1.00 0.00 O ATOM 261 CB ASN A 16 15.672 0.280 7.451 1.00 0.00 C ATOM 262 CG ASN A 16 15.639 -1.210 7.730 1.00 0.00 C ATOM 263 OD1 ASN A 16 14.568 -1.807 7.847 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.815 -1.818 7.836 1.00 0.00 N ATOM 0 H ASN A 16 16.623 0.663 4.518 1.00 0.00 H new ATOM 0 HA ASN A 16 14.892 -0.293 5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.690 0.648 7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.052 0.797 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.856 -2.820 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.677 -1.283 7.732 1.00 0.00 H new ATOM 271 N GLU A 17 13.870 2.488 5.206 1.00 0.00 N ATOM 272 CA GLU A 17 12.741 3.407 5.163 1.00 0.00 C ATOM 273 C GLU A 17 11.956 3.187 3.879 1.00 0.00 C ATOM 274 O GLU A 17 12.536 2.902 2.839 1.00 0.00 O ATOM 275 CB GLU A 17 13.221 4.857 5.250 1.00 0.00 C ATOM 276 CG GLU A 17 14.435 5.147 4.383 1.00 0.00 C ATOM 277 CD GLU A 17 14.932 6.572 4.531 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.209 7.395 5.130 1.00 0.00 O ATOM 279 OE2 GLU A 17 16.045 6.866 4.047 1.00 0.00 O ATOM 0 H GLU A 17 14.571 2.647 4.482 1.00 0.00 H new ATOM 0 HA GLU A 17 12.094 3.213 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.407 5.519 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.461 5.090 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.237 4.457 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.184 4.961 3.339 1.00 0.00 H new ATOM 286 N ILE A 18 10.640 3.293 3.956 1.00 0.00 N ATOM 287 CA ILE A 18 9.800 3.071 2.787 1.00 0.00 C ATOM 288 C ILE A 18 9.161 4.362 2.282 1.00 0.00 C ATOM 289 O ILE A 18 8.779 5.234 3.062 1.00 0.00 O ATOM 290 CB ILE A 18 8.704 2.034 3.105 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.315 0.640 3.229 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.603 2.043 2.052 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.623 -0.234 4.251 1.00 0.00 C ATOM 0 H ILE A 18 10.131 3.529 4.808 1.00 0.00 H new ATOM 0 HA ILE A 18 10.445 2.691 1.995 1.00 0.00 H new ATOM 0 HB ILE A 18 8.251 2.308 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.278 0.148 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.367 0.736 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.848 1.300 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.143 3.030 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.030 1.805 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.110 -1.209 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.683 0.236 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.577 -0.361 3.973 1.00 0.00 H new ATOM 305 N PHE A 19 9.038 4.457 0.960 1.00 0.00 N ATOM 306 CA PHE A 19 8.434 5.614 0.313 1.00 0.00 C ATOM 307 C PHE A 19 6.925 5.408 0.182 1.00 0.00 C ATOM 308 O PHE A 19 6.452 4.801 -0.776 1.00 0.00 O ATOM 309 CB PHE A 19 9.084 5.827 -1.065 1.00 0.00 C ATOM 310 CG PHE A 19 8.291 6.681 -2.023 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.356 6.107 -2.871 1.00 0.00 C ATOM 312 CD2 PHE A 19 8.492 8.050 -2.087 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.635 6.880 -3.759 1.00 0.00 C ATOM 314 CE2 PHE A 19 7.774 8.829 -2.978 1.00 0.00 C ATOM 315 CZ PHE A 19 6.845 8.242 -3.814 1.00 0.00 C ATOM 0 H PHE A 19 9.354 3.736 0.311 1.00 0.00 H new ATOM 0 HA PHE A 19 8.603 6.505 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.063 6.284 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.252 4.853 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.190 5.040 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.217 8.515 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.907 6.419 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.940 9.895 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.284 8.848 -4.510 1.00 0.00 H new ATOM 325 N ILE A 20 6.174 5.906 1.159 1.00 0.00 N ATOM 326 CA ILE A 20 4.726 5.769 1.152 1.00 0.00 C ATOM 327 C ILE A 20 4.062 7.126 0.962 1.00 0.00 C ATOM 328 O ILE A 20 4.597 8.153 1.381 1.00 0.00 O ATOM 329 CB ILE A 20 4.197 5.127 2.458 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.313 4.995 3.499 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.580 3.769 2.168 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.849 4.392 4.807 1.00 0.00 C ATOM 0 H ILE A 20 6.547 6.408 1.965 1.00 0.00 H new ATOM 0 HA ILE A 20 4.475 5.112 0.319 1.00 0.00 H new ATOM 0 HB ILE A 20 3.428 5.781 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.112 4.379 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.737 5.980 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.213 3.331 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.751 3.887 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.333 3.113 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.690 4.328 5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.070 5.019 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.451 3.393 4.626 1.00 0.00 H new ATOM 344 N THR A 21 2.895 7.128 0.331 1.00 0.00 N ATOM 345 CA THR A 21 2.165 8.365 0.093 1.00 0.00 C ATOM 346 C THR A 21 1.598 8.909 1.397 1.00 0.00 C ATOM 347 O THR A 21 0.696 8.315 1.983 1.00 0.00 O ATOM 348 CB THR A 21 1.032 8.138 -0.909 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.114 7.612 -0.263 1.00 0.00 O ATOM 350 CG2 THR A 21 1.396 7.191 -2.032 1.00 0.00 C ATOM 0 H THR A 21 2.435 6.290 -0.024 1.00 0.00 H new ATOM 0 HA THR A 21 2.861 9.094 -0.322 1.00 0.00 H new ATOM 0 HB THR A 21 0.832 9.121 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.091 7.441 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.545 7.078 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.244 7.593 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.662 6.219 -1.617 1.00 0.00 H new ATOM 358 N ARG A 22 2.129 10.041 1.846 1.00 0.00 N ATOM 359 CA ARG A 22 1.668 10.659 3.083 1.00 0.00 C ATOM 360 C ARG A 22 1.583 12.174 2.933 1.00 0.00 C ATOM 361 O ARG A 22 2.474 12.801 2.361 1.00 0.00 O ATOM 362 CB ARG A 22 2.597 10.287 4.245 1.00 0.00 C ATOM 363 CG ARG A 22 3.938 11.004 4.223 1.00 0.00 C ATOM 364 CD ARG A 22 4.668 10.850 5.549 1.00 0.00 C ATOM 365 NE ARG A 22 5.841 11.717 5.633 1.00 0.00 N ATOM 366 CZ ARG A 22 7.010 11.439 5.061 1.00 0.00 C ATOM 367 NH1 ARG A 22 7.165 10.322 4.362 1.00 0.00 N ATOM 368 NH2 ARG A 22 8.026 12.281 5.188 1.00 0.00 N ATOM 0 H ARG A 22 2.877 10.548 1.373 1.00 0.00 H new ATOM 0 HA ARG A 22 0.669 10.282 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.093 10.511 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.772 9.211 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.554 10.604 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.784 12.062 4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.986 11.083 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.975 9.812 5.675 1.00 0.00 H new ATOM 0 HE ARG A 22 5.759 12.586 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.386 9.671 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.063 10.114 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.911 13.141 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.922 12.069 4.750 1.00 0.00 H new ATOM 493 N ASN A 31 -4.150 12.640 6.020 1.00 0.00 N ATOM 494 CA ASN A 31 -5.031 11.537 6.389 1.00 0.00 C ATOM 495 C ASN A 31 -5.073 10.460 5.303 1.00 0.00 C ATOM 496 O ASN A 31 -5.884 9.535 5.372 1.00 0.00 O ATOM 497 CB ASN A 31 -6.444 12.058 6.656 1.00 0.00 C ATOM 498 CG ASN A 31 -7.123 11.329 7.799 1.00 0.00 C ATOM 499 OD1 ASN A 31 -7.607 11.948 8.746 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.162 10.004 7.716 1.00 0.00 N ATOM 0 HA ASN A 31 -4.631 11.085 7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.398 13.123 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.044 11.951 5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.606 9.460 8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.748 9.531 6.913 1.00 0.00 H new ATOM 507 N LYS A 32 -4.206 10.581 4.298 1.00 0.00 N ATOM 508 CA LYS A 32 -4.164 9.612 3.207 1.00 0.00 C ATOM 509 C LYS A 32 -2.856 8.833 3.201 1.00 0.00 C ATOM 510 O LYS A 32 -2.416 8.345 2.160 1.00 0.00 O ATOM 511 CB LYS A 32 -4.374 10.306 1.860 1.00 0.00 C ATOM 512 CG LYS A 32 -5.677 9.926 1.177 1.00 0.00 C ATOM 513 CD LYS A 32 -6.814 10.845 1.592 1.00 0.00 C ATOM 514 CE LYS A 32 -8.155 10.131 1.544 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.327 9.359 0.282 1.00 0.00 N ATOM 0 H LYS A 32 -3.527 11.338 4.218 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.976 8.903 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.353 11.385 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.542 10.060 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.548 9.971 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.932 8.896 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.634 11.215 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.840 11.714 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.238 9.457 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.959 10.861 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.330 9.115 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.009 9.935 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.762 8.487 0.328 1.00 0.00 H new ATOM 529 N LEU A 33 -2.244 8.723 4.368 1.00 0.00 N ATOM 530 CA LEU A 33 -0.984 7.999 4.512 1.00 0.00 C ATOM 531 C LEU A 33 -1.161 6.530 4.135 1.00 0.00 C ATOM 532 O LEU A 33 -1.296 5.673 5.007 1.00 0.00 O ATOM 533 CB LEU A 33 -0.471 8.111 5.950 1.00 0.00 C ATOM 534 CG LEU A 33 1.006 7.770 6.148 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.447 8.109 7.563 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.262 6.301 5.847 1.00 0.00 C ATOM 0 H LEU A 33 -2.598 9.126 5.235 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.253 8.445 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.641 9.129 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.066 7.452 6.582 1.00 0.00 H new ATOM 0 HG LEU A 33 1.592 8.370 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.501 7.859 7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.303 9.174 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.854 7.537 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.319 6.078 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.664 5.683 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.986 6.088 4.814 1.00 0.00 H new ATOM 548 N GLU A 34 -1.173 6.244 2.834 1.00 0.00 N ATOM 549 CA GLU A 34 -1.350 4.873 2.363 1.00 0.00 C ATOM 550 C GLU A 34 -0.201 4.425 1.466 1.00 0.00 C ATOM 551 O GLU A 34 0.802 5.125 1.319 1.00 0.00 O ATOM 552 CB GLU A 34 -2.679 4.738 1.617 1.00 0.00 C ATOM 553 CG GLU A 34 -3.411 3.438 1.909 1.00 0.00 C ATOM 554 CD GLU A 34 -4.022 2.821 0.665 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.255 2.374 -0.213 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.267 2.784 0.571 1.00 0.00 O ATOM 0 H GLU A 34 -1.063 6.937 2.094 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.357 4.225 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.323 5.576 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.493 4.808 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.717 2.728 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.197 3.624 2.641 1.00 0.00 H new ATOM 563 N PHE A 35 -0.355 3.238 0.882 1.00 0.00 N ATOM 564 CA PHE A 35 0.667 2.665 0.011 1.00 0.00 C ATOM 565 C PHE A 35 0.134 2.429 -1.406 1.00 0.00 C ATOM 566 O PHE A 35 -1.070 2.506 -1.651 1.00 0.00 O ATOM 567 CB PHE A 35 1.189 1.346 0.595 1.00 0.00 C ATOM 568 CG PHE A 35 0.907 1.165 2.062 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.382 0.929 2.513 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.934 1.231 2.989 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.640 0.763 3.861 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.683 1.066 4.337 1.00 0.00 C ATOM 573 CZ PHE A 35 0.394 0.832 4.773 1.00 0.00 C ATOM 0 H PHE A 35 -1.182 2.653 0.998 1.00 0.00 H new ATOM 0 HA PHE A 35 1.485 3.383 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.743 0.517 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.266 1.292 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.194 0.874 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.944 1.414 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.649 0.580 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.493 1.120 5.049 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.195 0.703 5.827 1.00 0.00 H new ATOM 583 N PRO A 36 1.041 2.136 -2.359 1.00 0.00 N ATOM 584 CA PRO A 36 0.688 1.881 -3.763 1.00 0.00 C ATOM 585 C PRO A 36 0.052 0.509 -3.980 1.00 0.00 C ATOM 586 O PRO A 36 0.102 -0.352 -3.109 1.00 0.00 O ATOM 587 CB PRO A 36 2.032 1.953 -4.485 1.00 0.00 C ATOM 588 CG PRO A 36 3.032 1.548 -3.461 1.00 0.00 C ATOM 589 CD PRO A 36 2.498 2.028 -2.137 1.00 0.00 C ATOM 0 HA PRO A 36 -0.054 2.595 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.055 1.286 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.229 2.959 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.168 0.467 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.005 1.991 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.729 1.327 -1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.931 2.988 -1.856 1.00 0.00 H new ATOM 597 N GLY A 37 -0.530 0.319 -5.162 1.00 0.00 N ATOM 598 CA GLY A 37 -1.164 -0.944 -5.504 1.00 0.00 C ATOM 599 C GLY A 37 -2.682 -0.927 -5.400 1.00 0.00 C ATOM 600 O GLY A 37 -3.339 -1.888 -5.770 1.00 0.00 O ATOM 0 H GLY A 37 -0.574 1.026 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.884 -1.215 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.775 -1.723 -4.848 1.00 0.00 H new ATOM 604 N GLY A 38 -3.239 0.161 -4.916 1.00 0.00 N ATOM 605 CA GLY A 38 -4.681 0.271 -4.793 1.00 0.00 C ATOM 606 C GLY A 38 -5.399 0.192 -6.134 1.00 0.00 C ATOM 607 O GLY A 38 -4.888 0.680 -7.144 1.00 0.00 O ATOM 0 H GLY A 38 -2.720 0.981 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.047 -0.524 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.928 1.216 -4.310 1.00 0.00 H new ATOM 611 N LYS A 39 -6.600 -0.410 -6.132 1.00 0.00 N ATOM 612 CA LYS A 39 -7.428 -0.545 -7.336 1.00 0.00 C ATOM 613 C LYS A 39 -7.185 -1.854 -8.086 1.00 0.00 C ATOM 614 O LYS A 39 -7.795 -2.088 -9.130 1.00 0.00 O ATOM 615 CB LYS A 39 -7.231 0.631 -8.291 1.00 0.00 C ATOM 616 CG LYS A 39 -8.276 0.672 -9.391 1.00 0.00 C ATOM 617 CD LYS A 39 -8.998 2.017 -9.462 1.00 0.00 C ATOM 618 CE LYS A 39 -9.440 2.521 -8.091 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.910 1.421 -7.201 1.00 0.00 N ATOM 0 H LYS A 39 -7.021 -0.815 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.458 -0.551 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.267 1.563 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.239 0.568 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.798 0.469 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.006 -0.120 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.339 2.755 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.870 1.923 -10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.609 3.040 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.241 3.249 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.792 1.708 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.083 0.566 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.184 1.220 -6.484 1.00 0.00 H new ATOM 633 N ILE A 40 -6.316 -2.713 -7.565 1.00 0.00 N ATOM 634 CA ILE A 40 -6.044 -3.994 -8.221 1.00 0.00 C ATOM 635 C ILE A 40 -7.342 -4.729 -8.517 1.00 0.00 C ATOM 636 O ILE A 40 -7.441 -5.507 -9.465 1.00 0.00 O ATOM 637 CB ILE A 40 -5.124 -4.900 -7.375 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.906 -5.596 -6.250 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.971 -4.089 -6.814 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.670 -7.091 -6.187 1.00 0.00 C ATOM 0 H ILE A 40 -5.793 -2.553 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.528 -3.766 -9.154 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.722 -5.680 -8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.627 -5.151 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.971 -5.410 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.327 -4.736 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.395 -3.659 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.361 -3.288 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.253 -7.517 -5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.976 -7.548 -7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.611 -7.285 -6.017 1.00 0.00 H new ATOM 652 N GLU A 41 -8.327 -4.460 -7.678 1.00 0.00 N ATOM 653 CA GLU A 41 -9.646 -5.062 -7.788 1.00 0.00 C ATOM 654 C GLU A 41 -10.124 -5.078 -9.235 1.00 0.00 C ATOM 655 O GLU A 41 -10.361 -6.143 -9.800 1.00 0.00 O ATOM 656 CB GLU A 41 -10.629 -4.290 -6.910 1.00 0.00 C ATOM 657 CG GLU A 41 -10.452 -2.776 -6.978 1.00 0.00 C ATOM 658 CD GLU A 41 -11.613 -2.080 -7.662 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.664 -1.903 -7.012 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.470 -1.715 -8.848 1.00 0.00 O ATOM 0 H GLU A 41 -8.234 -3.813 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.589 -6.096 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.646 -4.542 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.512 -4.615 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.342 -2.382 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.530 -2.546 -7.512 1.00 0.00 H new ATOM 667 N MET A 42 -10.248 -3.883 -9.818 1.00 0.00 N ATOM 668 CA MET A 42 -10.688 -3.709 -11.210 1.00 0.00 C ATOM 669 C MET A 42 -11.222 -5.006 -11.826 1.00 0.00 C ATOM 670 O MET A 42 -12.432 -5.226 -11.876 1.00 0.00 O ATOM 671 CB MET A 42 -9.533 -3.169 -12.059 1.00 0.00 C ATOM 672 CG MET A 42 -9.124 -1.751 -11.697 1.00 0.00 C ATOM 673 SD MET A 42 -9.735 -0.529 -12.874 1.00 0.00 S ATOM 674 CE MET A 42 -8.547 -0.714 -14.202 1.00 0.00 C ATOM 0 H MET A 42 -10.046 -3.005 -9.339 1.00 0.00 H new ATOM 0 HA MET A 42 -11.511 -2.994 -11.199 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.671 -3.827 -11.946 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.821 -3.198 -13.110 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.500 -1.511 -10.702 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.037 -1.692 -11.649 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.792 -0.022 -15.008 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.547 -0.497 -13.828 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.579 -1.736 -14.579 1.00 0.00 H new ATOM 684 N GLY A 43 -10.311 -5.859 -12.292 1.00 0.00 N ATOM 685 CA GLY A 43 -10.717 -7.115 -12.896 1.00 0.00 C ATOM 686 C GLY A 43 -9.560 -8.060 -13.134 1.00 0.00 C ATOM 687 O GLY A 43 -9.599 -8.886 -14.046 1.00 0.00 O ATOM 0 H GLY A 43 -9.304 -5.702 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.449 -7.601 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.213 -6.911 -13.845 1.00 0.00 H new ATOM 691 N GLU A 44 -8.529 -7.937 -12.316 1.00 0.00 N ATOM 692 CA GLU A 44 -7.348 -8.785 -12.440 1.00 0.00 C ATOM 693 C GLU A 44 -7.333 -9.863 -11.360 1.00 0.00 C ATOM 694 O GLU A 44 -8.294 -10.010 -10.606 1.00 0.00 O ATOM 695 CB GLU A 44 -6.078 -7.938 -12.357 1.00 0.00 C ATOM 696 CG GLU A 44 -5.534 -7.523 -13.715 1.00 0.00 C ATOM 697 CD GLU A 44 -5.841 -6.077 -14.049 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.020 -5.201 -13.702 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.901 -5.820 -14.656 1.00 0.00 O ATOM 0 H GLU A 44 -8.482 -7.258 -11.556 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.384 -9.277 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.285 -7.044 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.311 -8.499 -11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.455 -7.675 -13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.958 -8.168 -14.485 1.00 0.00 H new ATOM 706 N THR A 45 -6.236 -10.616 -11.286 1.00 0.00 N ATOM 707 CA THR A 45 -6.102 -11.674 -10.295 1.00 0.00 C ATOM 708 C THR A 45 -5.085 -11.270 -9.234 1.00 0.00 C ATOM 709 O THR A 45 -4.207 -10.454 -9.492 1.00 0.00 O ATOM 710 CB THR A 45 -5.669 -12.981 -10.968 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.645 -12.837 -12.378 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.572 -14.151 -10.645 1.00 0.00 C ATOM 0 H THR A 45 -5.430 -10.510 -11.902 1.00 0.00 H new ATOM 0 HA THR A 45 -7.069 -11.831 -9.817 1.00 0.00 H new ATOM 0 HB THR A 45 -4.675 -13.190 -10.574 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.365 -13.682 -12.788 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.207 -15.043 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.574 -14.323 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.586 -13.931 -10.979 1.00 0.00 H new ATOM 720 N PRO A 46 -5.174 -11.843 -8.023 1.00 0.00 N ATOM 721 CA PRO A 46 -4.248 -11.536 -6.935 1.00 0.00 C ATOM 722 C PRO A 46 -2.794 -11.473 -7.407 1.00 0.00 C ATOM 723 O PRO A 46 -1.957 -10.821 -6.782 1.00 0.00 O ATOM 724 CB PRO A 46 -4.447 -12.700 -5.946 1.00 0.00 C ATOM 725 CG PRO A 46 -5.395 -13.648 -6.613 1.00 0.00 C ATOM 726 CD PRO A 46 -6.167 -12.834 -7.607 1.00 0.00 C ATOM 0 HA PRO A 46 -4.447 -10.557 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.499 -13.189 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.853 -12.343 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.855 -14.456 -7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.062 -14.109 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.517 -13.437 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.045 -12.369 -7.160 1.00 0.00 H new ATOM 734 N GLU A 47 -2.501 -12.160 -8.508 1.00 0.00 N ATOM 735 CA GLU A 47 -1.151 -12.188 -9.056 1.00 0.00 C ATOM 736 C GLU A 47 -0.885 -11.015 -10.005 1.00 0.00 C ATOM 737 O GLU A 47 0.026 -10.221 -9.772 1.00 0.00 O ATOM 738 CB GLU A 47 -0.911 -13.510 -9.789 1.00 0.00 C ATOM 739 CG GLU A 47 0.375 -14.209 -9.378 1.00 0.00 C ATOM 740 CD GLU A 47 0.599 -15.506 -10.130 1.00 0.00 C ATOM 741 OE1 GLU A 47 -0.397 -16.112 -10.579 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.771 -15.916 -10.270 1.00 0.00 O ATOM 0 H GLU A 47 -3.182 -12.705 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.460 -12.096 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.753 -14.177 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.885 -13.321 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.219 -13.542 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.347 -14.414 -8.308 1.00 0.00 H new ATOM 749 N GLN A 48 -1.662 -10.921 -11.085 1.00 0.00 N ATOM 750 CA GLN A 48 -1.472 -9.854 -12.069 1.00 0.00 C ATOM 751 C GLN A 48 -2.109 -8.540 -11.625 1.00 0.00 C ATOM 752 O GLN A 48 -1.735 -7.470 -12.107 1.00 0.00 O ATOM 753 CB GLN A 48 -2.039 -10.276 -13.426 1.00 0.00 C ATOM 754 CG GLN A 48 -3.548 -10.450 -13.429 1.00 0.00 C ATOM 755 CD GLN A 48 -4.117 -10.570 -14.829 1.00 0.00 C ATOM 756 OE1 GLN A 48 -3.383 -10.525 -15.816 1.00 0.00 O ATOM 757 NE2 GLN A 48 -5.433 -10.724 -14.921 1.00 0.00 N ATOM 0 H GLN A 48 -2.423 -11.565 -11.300 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.399 -9.686 -12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.767 -9.529 -14.172 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.573 -11.214 -13.729 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.809 -11.341 -12.857 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.009 -9.601 -12.925 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.003 -10.756 -14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.874 -10.810 -15.837 1.00 0.00 H new ATOM 766 N ALA A 49 -3.073 -8.620 -10.717 1.00 0.00 N ATOM 767 CA ALA A 49 -3.754 -7.428 -10.231 1.00 0.00 C ATOM 768 C ALA A 49 -2.761 -6.433 -9.648 1.00 0.00 C ATOM 769 O ALA A 49 -2.785 -5.250 -9.987 1.00 0.00 O ATOM 770 CB ALA A 49 -4.814 -7.801 -9.204 1.00 0.00 C ATOM 0 H ALA A 49 -3.400 -9.494 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.249 -6.950 -11.076 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.313 -6.898 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.547 -8.465 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.342 -8.307 -8.362 1.00 0.00 H new ATOM 776 N VAL A 50 -1.879 -6.917 -8.783 1.00 0.00 N ATOM 777 CA VAL A 50 -0.872 -6.054 -8.177 1.00 0.00 C ATOM 778 C VAL A 50 0.272 -5.793 -9.150 1.00 0.00 C ATOM 779 O VAL A 50 0.662 -4.649 -9.371 1.00 0.00 O ATOM 780 CB VAL A 50 -0.293 -6.633 -6.860 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.275 -8.155 -6.870 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.105 -6.086 -6.609 1.00 0.00 C ATOM 0 H VAL A 50 -1.839 -7.892 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.381 -5.121 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.948 -6.319 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.138 -8.520 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.291 -8.530 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.342 -8.506 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.497 -6.502 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.758 -6.364 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.062 -5.000 -6.530 1.00 0.00 H new ATOM 792 N VAL A 51 0.814 -6.864 -9.722 1.00 0.00 N ATOM 793 CA VAL A 51 1.920 -6.748 -10.662 1.00 0.00 C ATOM 794 C VAL A 51 1.599 -5.736 -11.750 1.00 0.00 C ATOM 795 O VAL A 51 2.476 -5.006 -12.214 1.00 0.00 O ATOM 796 CB VAL A 51 2.262 -8.105 -11.309 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.457 -7.973 -12.241 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.529 -9.155 -10.240 1.00 0.00 C ATOM 0 H VAL A 51 0.504 -7.821 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 51 2.787 -6.408 -10.095 1.00 0.00 H new ATOM 0 HB VAL A 51 1.404 -8.426 -11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.680 -8.943 -12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.226 -7.256 -13.029 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.322 -7.625 -11.676 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.769 -10.106 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.368 -8.838 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.642 -9.274 -9.617 1.00 0.00 H new ATOM 808 N ARG A 52 0.335 -5.692 -12.149 1.00 0.00 N ATOM 809 CA ARG A 52 -0.093 -4.761 -13.178 1.00 0.00 C ATOM 810 C ARG A 52 -0.251 -3.362 -12.600 1.00 0.00 C ATOM 811 O ARG A 52 0.259 -2.388 -13.156 1.00 0.00 O ATOM 812 CB ARG A 52 -1.407 -5.224 -13.811 1.00 0.00 C ATOM 813 CG ARG A 52 -1.717 -4.544 -15.136 1.00 0.00 C ATOM 814 CD ARG A 52 -1.544 -5.494 -16.311 1.00 0.00 C ATOM 815 NE ARG A 52 -0.351 -5.184 -17.096 1.00 0.00 N ATOM 816 CZ ARG A 52 0.879 -5.566 -16.761 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.085 -6.272 -15.655 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.907 -5.242 -17.533 1.00 0.00 N ATOM 0 H ARG A 52 -0.406 -6.287 -11.777 1.00 0.00 H new ATOM 0 HA ARG A 52 0.673 -4.733 -13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.366 -6.302 -13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.223 -5.033 -13.114 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.740 -4.167 -15.121 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.061 -3.683 -15.265 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.479 -6.518 -15.943 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.424 -5.441 -16.952 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.468 -4.642 -17.952 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.298 -6.524 -15.057 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.030 -6.562 -15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.755 -4.700 -18.384 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.850 -5.535 -17.276 1.00 0.00 H new ATOM 832 N GLU A 53 -0.950 -3.268 -11.476 1.00 0.00 N ATOM 833 CA GLU A 53 -1.161 -1.987 -10.818 1.00 0.00 C ATOM 834 C GLU A 53 0.158 -1.423 -10.303 1.00 0.00 C ATOM 835 O GLU A 53 0.271 -0.226 -10.046 1.00 0.00 O ATOM 836 CB GLU A 53 -2.150 -2.137 -9.661 1.00 0.00 C ATOM 837 CG GLU A 53 -3.591 -2.310 -10.111 1.00 0.00 C ATOM 838 CD GLU A 53 -4.117 -1.111 -10.874 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.698 -0.914 -12.034 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.950 -0.369 -10.312 1.00 0.00 O ATOM 0 H GLU A 53 -1.379 -4.063 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.576 -1.294 -11.550 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.861 -2.997 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.082 -1.259 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.666 -3.197 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.221 -2.484 -9.239 1.00 0.00 H new ATOM 847 N LEU A 54 1.156 -2.292 -10.150 1.00 0.00 N ATOM 848 CA LEU A 54 2.463 -1.871 -9.663 1.00 0.00 C ATOM 849 C LEU A 54 3.059 -0.804 -10.570 1.00 0.00 C ATOM 850 O LEU A 54 3.577 0.206 -10.101 1.00 0.00 O ATOM 851 CB LEU A 54 3.408 -3.072 -9.577 1.00 0.00 C ATOM 852 CG LEU A 54 4.234 -3.143 -8.295 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.501 -3.951 -7.237 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.610 -3.729 -8.574 1.00 0.00 C ATOM 0 H LEU A 54 1.082 -3.288 -10.356 1.00 0.00 H new ATOM 0 HA LEU A 54 2.335 -1.447 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.821 -3.986 -9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.087 -3.045 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 54 4.372 -2.131 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.103 -3.992 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.544 -3.478 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.330 -4.963 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.182 -3.771 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.502 -4.735 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.133 -3.102 -9.296 1.00 0.00 H new ATOM 866 N GLN A 55 2.969 -1.025 -11.874 1.00 0.00 N ATOM 867 CA GLN A 55 3.489 -0.067 -12.839 1.00 0.00 C ATOM 868 C GLN A 55 2.618 1.185 -12.852 1.00 0.00 C ATOM 869 O GLN A 55 3.097 2.291 -13.103 1.00 0.00 O ATOM 870 CB GLN A 55 3.539 -0.693 -14.237 1.00 0.00 C ATOM 871 CG GLN A 55 4.952 -0.895 -14.760 1.00 0.00 C ATOM 872 CD GLN A 55 5.755 -1.862 -13.912 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.854 -1.701 -12.696 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.333 -2.871 -14.551 1.00 0.00 N ATOM 0 H GLN A 55 2.543 -1.855 -12.286 1.00 0.00 H new ATOM 0 HA GLN A 55 4.502 0.211 -12.547 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.027 -1.655 -14.214 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.990 -0.057 -14.931 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.907 -1.266 -15.784 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.465 0.066 -14.792 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.224 -2.965 -15.561 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.887 -3.553 -14.032 1.00 0.00 H new ATOM 883 N GLU A 56 1.333 0.993 -12.574 1.00 0.00 N ATOM 884 CA GLU A 56 0.375 2.088 -12.543 1.00 0.00 C ATOM 885 C GLU A 56 0.495 2.898 -11.262 1.00 0.00 C ATOM 886 O GLU A 56 0.235 4.101 -11.252 1.00 0.00 O ATOM 887 CB GLU A 56 -1.047 1.539 -12.648 1.00 0.00 C ATOM 888 CG GLU A 56 -2.065 2.559 -13.131 1.00 0.00 C ATOM 889 CD GLU A 56 -3.371 2.487 -12.361 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.359 2.002 -11.209 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.407 2.917 -12.911 1.00 0.00 O ATOM 0 H GLU A 56 0.930 0.080 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 56 0.593 2.739 -13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.048 0.688 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.355 1.166 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.645 3.560 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.262 2.397 -14.191 1.00 0.00 H new ATOM 898 N GLU A 57 0.853 2.228 -10.172 1.00 0.00 N ATOM 899 CA GLU A 57 0.961 2.896 -8.886 1.00 0.00 C ATOM 900 C GLU A 57 2.409 3.066 -8.427 1.00 0.00 C ATOM 901 O GLU A 57 2.659 3.536 -7.316 1.00 0.00 O ATOM 902 CB GLU A 57 0.160 2.141 -7.829 1.00 0.00 C ATOM 903 CG GLU A 57 -0.807 3.033 -7.065 1.00 0.00 C ATOM 904 CD GLU A 57 -2.246 2.572 -7.181 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.713 2.365 -8.320 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.907 2.419 -6.132 1.00 0.00 O ATOM 0 H GLU A 57 1.071 1.232 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 57 0.548 3.897 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.398 1.338 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.848 1.674 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.521 3.055 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.726 4.054 -7.439 1.00 0.00 H new ATOM 913 N VAL A 58 3.361 2.709 -9.283 1.00 0.00 N ATOM 914 CA VAL A 58 4.772 2.857 -8.947 1.00 0.00 C ATOM 915 C VAL A 58 5.533 3.487 -10.107 1.00 0.00 C ATOM 916 O VAL A 58 6.342 4.393 -9.912 1.00 0.00 O ATOM 917 CB VAL A 58 5.417 1.508 -8.576 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.791 1.728 -7.967 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.525 0.735 -7.616 1.00 0.00 C ATOM 0 H VAL A 58 3.183 2.318 -10.208 1.00 0.00 H new ATOM 0 HA VAL A 58 4.830 3.510 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 58 5.532 0.919 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.234 0.766 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.430 2.241 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.697 2.336 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.997 -0.215 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.378 1.318 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.560 0.547 -8.087 1.00 0.00 H new ATOM 929 N GLY A 59 5.250 3.017 -11.319 1.00 0.00 N ATOM 930 CA GLY A 59 5.890 3.554 -12.510 1.00 0.00 C ATOM 931 C GLY A 59 7.384 3.302 -12.594 1.00 0.00 C ATOM 932 O GLY A 59 7.931 3.132 -13.684 1.00 0.00 O ATOM 0 H GLY A 59 4.583 2.267 -11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.412 3.122 -13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.714 4.629 -12.548 1.00 0.00 H new ATOM 936 N ILE A 60 8.042 3.282 -11.453 1.00 0.00 N ATOM 937 CA ILE A 60 9.480 3.053 -11.393 1.00 0.00 C ATOM 938 C ILE A 60 9.799 1.577 -11.571 1.00 0.00 C ATOM 939 O ILE A 60 8.917 0.728 -11.456 1.00 0.00 O ATOM 940 CB ILE A 60 10.064 3.521 -10.037 1.00 0.00 C ATOM 941 CG1 ILE A 60 11.590 3.503 -10.058 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.547 2.653 -8.897 1.00 0.00 C ATOM 943 CD1 ILE A 60 12.202 4.160 -8.845 1.00 0.00 C ATOM 0 H ILE A 60 7.603 3.423 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 60 9.931 3.629 -12.201 1.00 0.00 H new ATOM 0 HB ILE A 60 9.735 4.547 -9.873 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.935 2.471 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.942 4.010 -10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.970 3.000 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.460 2.720 -8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.840 1.617 -9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.289 4.116 -8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.883 5.201 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.877 3.638 -7.945 1.00 0.00 H new ATOM 955 N THR A 61 11.066 1.281 -11.830 1.00 0.00 N ATOM 956 CA THR A 61 11.517 -0.083 -11.990 1.00 0.00 C ATOM 957 C THR A 61 12.283 -0.491 -10.738 1.00 0.00 C ATOM 958 O THR A 61 13.492 -0.281 -10.648 1.00 0.00 O ATOM 959 CB THR A 61 12.428 -0.161 -13.203 1.00 0.00 C ATOM 960 OG1 THR A 61 13.026 1.098 -13.460 1.00 0.00 O ATOM 961 CG2 THR A 61 11.711 -0.590 -14.463 1.00 0.00 C ATOM 0 H THR A 61 11.802 1.980 -11.933 1.00 0.00 H new ATOM 0 HA THR A 61 10.669 -0.753 -12.134 1.00 0.00 H new ATOM 0 HB THR A 61 13.176 -0.914 -12.955 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.611 1.029 -14.243 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.419 -0.625 -15.291 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.276 -1.579 -14.315 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.920 0.124 -14.692 1.00 0.00 H new ATOM 969 N PRO A 62 11.581 -1.016 -9.723 1.00 0.00 N ATOM 970 CA PRO A 62 12.162 -1.374 -8.453 1.00 0.00 C ATOM 971 C PRO A 62 12.141 -2.862 -8.151 1.00 0.00 C ATOM 972 O PRO A 62 11.212 -3.567 -8.545 1.00 0.00 O ATOM 973 CB PRO A 62 11.158 -0.681 -7.541 1.00 0.00 C ATOM 974 CG PRO A 62 9.834 -0.936 -8.203 1.00 0.00 C ATOM 975 CD PRO A 62 10.132 -1.226 -9.660 1.00 0.00 C ATOM 0 HA PRO A 62 13.215 -1.103 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.186 -1.091 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.364 0.386 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.322 -1.778 -7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.178 -0.071 -8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.855 -2.243 -9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.593 -0.554 -10.328 1.00 0.00 H new ATOM 983 N GLN A 63 13.116 -3.323 -7.374 1.00 0.00 N ATOM 984 CA GLN A 63 13.115 -4.710 -6.954 1.00 0.00 C ATOM 985 C GLN A 63 12.040 -4.802 -5.891 1.00 0.00 C ATOM 986 O GLN A 63 12.309 -4.720 -4.693 1.00 0.00 O ATOM 987 CB GLN A 63 14.475 -5.123 -6.393 1.00 0.00 C ATOM 988 CG GLN A 63 14.929 -4.293 -5.203 1.00 0.00 C ATOM 989 CD GLN A 63 16.436 -4.271 -5.052 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.166 -4.058 -6.020 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.912 -4.495 -3.832 1.00 0.00 N ATOM 0 H GLN A 63 13.899 -2.766 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 63 12.921 -5.382 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.432 -6.171 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.222 -5.046 -7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.563 -3.272 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.482 -4.693 -4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.270 -4.667 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.919 -4.495 -3.669 1.00 0.00 H new ATOM 1000 N HIS A 64 10.809 -4.882 -6.360 1.00 0.00 N ATOM 1001 CA HIS A 64 9.655 -4.881 -5.487 1.00 0.00 C ATOM 1002 C HIS A 64 8.761 -6.087 -5.734 1.00 0.00 C ATOM 1003 O HIS A 64 8.400 -6.384 -6.873 1.00 0.00 O ATOM 1004 CB HIS A 64 8.909 -3.566 -5.739 1.00 0.00 C ATOM 1005 CG HIS A 64 7.452 -3.566 -5.379 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.900 -4.400 -4.429 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.427 -2.820 -5.858 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.602 -4.168 -4.342 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.291 -3.213 -5.197 1.00 0.00 N ATOM 0 H HIS A 64 10.584 -4.949 -7.352 1.00 0.00 H new ATOM 0 HA HIS A 64 9.965 -4.953 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.404 -2.775 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.004 -3.312 -6.795 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.492 -2.057 -6.620 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.913 -4.674 -3.683 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.357 -2.829 -5.343 1.00 0.00 H new ATOM 1018 N PHE A 65 8.422 -6.788 -4.656 1.00 0.00 N ATOM 1019 CA PHE A 65 7.588 -7.973 -4.752 1.00 0.00 C ATOM 1020 C PHE A 65 7.307 -8.557 -3.357 1.00 0.00 C ATOM 1021 O PHE A 65 7.057 -7.813 -2.413 1.00 0.00 O ATOM 1022 CB PHE A 65 8.302 -8.990 -5.637 1.00 0.00 C ATOM 1023 CG PHE A 65 7.380 -9.894 -6.414 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.084 -10.135 -5.979 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.813 -10.502 -7.580 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.241 -10.962 -6.694 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.973 -11.331 -8.300 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.685 -11.562 -7.856 1.00 0.00 C ATOM 0 H PHE A 65 8.714 -6.553 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 65 6.625 -7.715 -5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.944 -8.456 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.952 -9.603 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.731 -9.670 -5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.819 -10.327 -7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.235 -11.140 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.323 -11.798 -9.209 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.027 -12.210 -8.416 1.00 0.00 H new ATOM 1038 N SER A 66 7.355 -9.887 -3.238 1.00 0.00 N ATOM 1039 CA SER A 66 7.120 -10.579 -1.970 1.00 0.00 C ATOM 1040 C SER A 66 5.826 -10.122 -1.310 1.00 0.00 C ATOM 1041 O SER A 66 5.178 -9.188 -1.774 1.00 0.00 O ATOM 1042 CB SER A 66 8.296 -10.350 -1.019 1.00 0.00 C ATOM 1043 OG SER A 66 8.511 -11.483 -0.194 1.00 0.00 O ATOM 0 H SER A 66 7.558 -10.513 -4.018 1.00 0.00 H new ATOM 0 HA SER A 66 7.028 -11.643 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.197 -10.138 -1.594 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.101 -9.475 -0.398 1.00 0.00 H new ATOM 0 HG SER A 66 9.269 -11.313 0.404 1.00 0.00 H new ATOM 1049 N LEU A 67 5.455 -10.784 -0.215 1.00 0.00 N ATOM 1050 CA LEU A 67 4.241 -10.429 0.506 1.00 0.00 C ATOM 1051 C LEU A 67 4.507 -10.309 2.005 1.00 0.00 C ATOM 1052 O LEU A 67 5.026 -11.231 2.635 1.00 0.00 O ATOM 1053 CB LEU A 67 3.129 -11.448 0.220 1.00 0.00 C ATOM 1054 CG LEU A 67 2.868 -12.487 1.313 1.00 0.00 C ATOM 1055 CD1 LEU A 67 2.022 -11.893 2.428 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.187 -13.708 0.719 1.00 0.00 C ATOM 0 H LEU A 67 5.976 -11.563 0.187 1.00 0.00 H new ATOM 0 HA LEU A 67 3.907 -9.453 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.203 -10.903 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.376 -11.975 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 67 3.824 -12.792 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.848 -12.648 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.544 -11.043 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.066 -11.561 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.006 -14.442 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.238 -13.413 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.828 -14.146 -0.046 1.00 0.00 H new ATOM 1068 N PHE A 68 4.143 -9.160 2.567 1.00 0.00 N ATOM 1069 CA PHE A 68 4.332 -8.902 3.989 1.00 0.00 C ATOM 1070 C PHE A 68 3.239 -9.602 4.798 1.00 0.00 C ATOM 1071 O PHE A 68 3.526 -10.409 5.682 1.00 0.00 O ATOM 1072 CB PHE A 68 4.352 -7.380 4.230 1.00 0.00 C ATOM 1073 CG PHE A 68 3.628 -6.894 5.460 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.252 -6.729 5.452 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.328 -6.575 6.612 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.586 -6.263 6.567 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.667 -6.102 7.731 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.294 -5.947 7.708 1.00 0.00 C ATOM 0 H PHE A 68 3.713 -8.390 2.055 1.00 0.00 H new ATOM 0 HA PHE A 68 5.287 -9.307 4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.391 -7.056 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.917 -6.889 3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.693 -6.969 4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.401 -6.697 6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.513 -6.146 6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.224 -5.854 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.776 -5.579 8.582 1.00 0.00 H new ATOM 1088 N GLU A 69 1.988 -9.302 4.470 1.00 0.00 N ATOM 1089 CA GLU A 69 0.847 -9.914 5.141 1.00 0.00 C ATOM 1090 C GLU A 69 -0.449 -9.531 4.437 1.00 0.00 C ATOM 1091 O GLU A 69 -0.687 -8.361 4.155 1.00 0.00 O ATOM 1092 CB GLU A 69 0.794 -9.495 6.611 1.00 0.00 C ATOM 1093 CG GLU A 69 1.117 -10.624 7.576 1.00 0.00 C ATOM 1094 CD GLU A 69 0.340 -10.520 8.875 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.142 -9.413 9.190 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.214 -11.547 9.574 1.00 0.00 O ATOM 0 H GLU A 69 1.737 -8.635 3.740 1.00 0.00 H new ATOM 0 HA GLU A 69 0.965 -10.997 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.496 -8.677 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.201 -9.110 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.895 -11.579 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.185 -10.617 7.794 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.290 -10.513 4.161 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.558 -10.249 3.492 1.00 0.00 C ATOM 1105 C LYS A 70 -3.730 -10.554 4.419 1.00 0.00 C ATOM 1106 O LYS A 70 -3.902 -11.689 4.862 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.671 -11.084 2.216 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.584 -10.786 1.195 1.00 0.00 C ATOM 1109 CD LYS A 70 -0.781 -12.029 0.852 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.538 -12.935 -0.106 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.340 -14.375 0.217 1.00 0.00 N ATOM 0 H LYS A 70 -1.123 -11.494 4.386 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.589 -9.192 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.631 -12.141 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.645 -10.906 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.036 -10.383 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.917 -10.018 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.169 -11.738 0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.549 -12.577 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.601 -12.697 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.206 -12.743 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.105 -14.935 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.425 -14.693 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.352 -14.504 1.249 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.530 -9.534 4.716 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.676 -9.698 5.593 1.00 0.00 C ATOM 1127 C LEU A 71 -6.981 -9.638 4.806 1.00 0.00 C ATOM 1128 O LEU A 71 -7.207 -8.715 4.024 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.666 -8.612 6.669 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.871 -8.635 7.606 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.484 -9.203 8.962 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.463 -7.243 7.759 1.00 0.00 C ATOM 0 H LEU A 71 -4.402 -8.587 4.360 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.608 -10.678 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.758 -8.716 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.619 -7.638 6.183 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.631 -9.281 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.356 -9.211 9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.114 -10.221 8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.704 -8.585 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.320 -7.284 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.710 -6.571 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.783 -6.875 6.784 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.840 -10.629 5.024 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.126 -10.693 4.346 1.00 0.00 C ATOM 1146 C GLU A 72 -10.262 -10.572 5.359 1.00 0.00 C ATOM 1147 O GLU A 72 -10.495 -11.478 6.158 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.240 -12.007 3.565 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.663 -12.383 3.192 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.737 -13.216 1.927 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.142 -12.802 0.909 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.388 -14.281 1.954 1.00 0.00 O ATOM 0 H GLU A 72 -7.666 -11.401 5.668 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.200 -9.862 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.645 -11.929 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.807 -12.811 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.115 -12.938 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.251 -11.475 3.059 1.00 0.00 H new ATOM 1159 N TYR A 73 -10.963 -9.442 5.323 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.068 -9.201 6.243 1.00 0.00 C ATOM 1161 C TYR A 73 -13.264 -8.596 5.516 1.00 0.00 C ATOM 1162 O TYR A 73 -13.104 -7.786 4.604 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.620 -8.264 7.366 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.091 -6.939 6.869 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -9.927 -6.874 6.112 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -11.755 -5.752 7.152 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.441 -5.665 5.653 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.275 -4.539 6.696 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.118 -4.501 5.947 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.637 -3.295 5.491 1.00 0.00 O ATOM 0 H TYR A 73 -10.785 -8.681 4.668 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.370 -10.159 6.667 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.461 -8.083 8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.846 -8.758 7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.394 -7.784 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.662 -5.778 7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.535 -5.632 5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.803 -3.625 6.925 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.249 -2.577 5.757 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.462 -8.989 5.933 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.687 -8.479 5.328 1.00 0.00 C ATOM 1182 C GLU A 74 -16.562 -7.793 6.372 1.00 0.00 C ATOM 1183 O GLU A 74 -17.015 -8.418 7.330 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.471 -9.604 4.647 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.577 -10.869 5.482 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.788 -12.109 4.635 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.331 -12.119 3.472 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -17.409 -13.071 5.134 1.00 0.00 O ATOM 0 H GLU A 74 -14.611 -9.659 6.687 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.403 -7.746 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.475 -9.247 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.992 -9.845 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.669 -10.987 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.404 -10.768 6.185 1.00 0.00 H new ATOM 1195 N PHE A 75 -16.796 -6.504 6.169 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.615 -5.714 7.072 1.00 0.00 C ATOM 1197 C PHE A 75 -19.084 -6.129 6.970 1.00 0.00 C ATOM 1198 O PHE A 75 -19.481 -6.783 6.010 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.451 -4.230 6.743 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.495 -3.510 7.651 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.130 -3.727 7.550 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.958 -2.618 8.605 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.245 -3.068 8.383 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.078 -1.956 9.441 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.720 -2.182 9.329 1.00 0.00 C ATOM 0 H PHE A 75 -16.424 -5.980 5.377 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.287 -5.890 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.104 -4.132 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.426 -3.745 6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.753 -4.419 6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.019 -2.438 8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.184 -3.246 8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.452 -1.263 10.180 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.031 -1.666 9.981 1.00 0.00 H new ATOM 1215 N PRO A 76 -19.906 -5.754 7.967 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.335 -6.083 7.996 1.00 0.00 C ATOM 1217 C PRO A 76 -22.043 -5.693 6.704 1.00 0.00 C ATOM 1218 O PRO A 76 -22.647 -4.624 6.612 1.00 0.00 O ATOM 1219 CB PRO A 76 -21.880 -5.263 9.177 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.792 -4.306 9.533 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.511 -4.977 9.138 1.00 0.00 C ATOM 0 HA PRO A 76 -21.499 -7.155 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.792 -4.735 8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.128 -5.907 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.916 -3.360 9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.803 -4.081 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.731 -4.254 8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.124 -5.613 9.934 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.951 -6.578 5.714 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.565 -6.378 4.393 1.00 0.00 C ATOM 1231 C ASP A 77 -21.549 -5.829 3.391 1.00 0.00 C ATOM 1232 O ASP A 77 -21.917 -5.356 2.316 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.778 -5.443 4.470 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.692 -5.583 3.268 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.892 -6.724 2.803 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.209 -4.550 2.792 1.00 0.00 O ATOM 0 H ASP A 77 -21.447 -7.460 5.801 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.906 -7.354 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.341 -5.657 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.434 -4.411 4.544 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.272 -5.903 3.750 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.200 -5.424 2.888 1.00 0.00 C ATOM 1243 C ARG A 78 -18.035 -6.413 2.891 1.00 0.00 C ATOM 1244 O ARG A 78 -17.794 -7.094 3.887 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.726 -4.048 3.360 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.149 -3.182 2.252 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.481 -1.712 2.463 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.390 -0.985 3.112 1.00 0.00 N ATOM 1249 CZ ARG A 78 -17.221 -0.915 4.432 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -18.056 -1.542 5.252 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.212 -0.217 4.936 1.00 0.00 N ATOM 0 H ARG A 78 -19.954 -6.293 4.637 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.579 -5.337 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.564 -3.523 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.971 -4.181 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.067 -3.310 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.542 -3.510 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.701 -1.250 1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.382 -1.629 3.070 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.717 -0.502 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.834 -2.082 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.920 -1.484 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.565 0.267 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.083 -0.164 5.946 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.317 -6.490 1.777 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.181 -7.398 1.665 1.00 0.00 C ATOM 1267 C HIS A 79 -14.965 -6.671 1.104 1.00 0.00 C ATOM 1268 O HIS A 79 -14.961 -6.251 -0.052 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.534 -8.592 0.774 1.00 0.00 C ATOM 1270 CG HIS A 79 -17.895 -9.158 1.041 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -18.131 -10.138 1.982 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -19.097 -8.876 0.485 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.418 -10.436 1.992 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -20.025 -9.683 1.094 1.00 0.00 N ATOM 0 H HIS A 79 -17.500 -5.936 0.940 1.00 0.00 H new ATOM 0 HA HIS A 79 -15.939 -7.763 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.476 -8.285 -0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.789 -9.375 0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.289 -8.151 -0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -19.892 -11.170 2.626 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -21.023 -9.698 0.886 1.00 0.00 H new ATOM 1283 N ILE A 80 -13.937 -6.516 1.932 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.724 -5.832 1.521 1.00 0.00 C ATOM 1285 C ILE A 80 -11.505 -6.744 1.637 1.00 0.00 C ATOM 1286 O ILE A 80 -11.078 -7.090 2.738 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.490 -4.559 2.369 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.059 -4.055 2.198 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.783 -4.837 3.836 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.794 -2.732 2.884 1.00 0.00 C ATOM 0 H ILE A 80 -13.923 -6.857 2.893 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.855 -5.549 0.477 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.172 -3.783 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.370 -4.803 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.844 -3.952 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.614 -3.932 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.821 -5.151 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.125 -5.628 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.758 -2.438 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.457 -1.970 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.976 -2.834 3.954 1.00 0.00 H new ATOM 1302 N THR A 81 -10.936 -7.106 0.493 1.00 0.00 N ATOM 1303 CA THR A 81 -9.750 -7.951 0.465 1.00 0.00 C ATOM 1304 C THR A 81 -8.506 -7.075 0.387 1.00 0.00 C ATOM 1305 O THR A 81 -8.341 -6.310 -0.562 1.00 0.00 O ATOM 1306 CB THR A 81 -9.802 -8.908 -0.730 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.872 -8.572 -1.597 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.974 -10.356 -0.331 1.00 0.00 C ATOM 0 H THR A 81 -11.277 -6.827 -0.427 1.00 0.00 H new ATOM 0 HA THR A 81 -9.714 -8.547 1.377 1.00 0.00 H new ATOM 0 HB THR A 81 -8.839 -8.797 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.399 -9.375 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.003 -10.979 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.138 -10.662 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.906 -10.473 0.223 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.642 -7.169 1.390 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.434 -6.352 1.418 1.00 0.00 C ATOM 1318 C LEU A 82 -5.169 -7.206 1.436 1.00 0.00 C ATOM 1319 O LEU A 82 -4.899 -7.918 2.403 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.458 -5.429 2.640 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.188 -3.948 2.351 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.037 -3.791 1.367 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.442 -3.271 1.822 1.00 0.00 C ATOM 0 H LEU A 82 -7.752 -7.796 2.187 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.417 -5.755 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.432 -5.516 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.716 -5.783 3.356 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.904 -3.464 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.863 -2.732 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.136 -4.237 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.287 -4.292 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.232 -2.220 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.758 -3.759 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.237 -3.347 2.564 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.389 -7.111 0.361 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.141 -7.854 0.248 1.00 0.00 C ATOM 1337 C TRP A 83 -1.957 -6.908 0.364 1.00 0.00 C ATOM 1338 O TRP A 83 -1.827 -5.961 -0.412 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.072 -8.600 -1.086 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.119 -9.658 -1.224 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.400 -9.594 -0.772 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -3.975 -10.938 -1.852 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.069 -10.752 -1.079 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.216 -11.594 -1.742 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -2.921 -11.592 -2.495 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.429 -12.872 -2.253 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.134 -12.860 -3.002 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.380 -13.489 -2.878 1.00 0.00 C ATOM 0 H TRP A 83 -4.603 -6.524 -0.445 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.104 -8.582 1.059 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.178 -7.884 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.088 -9.056 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.829 -8.753 -0.247 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.043 -10.953 -0.851 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.957 -11.115 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.388 -13.359 -2.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.327 -13.375 -3.502 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.515 -14.481 -3.284 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.095 -7.170 1.333 1.00 0.00 N ATOM 1360 CA PHE A 84 0.085 -6.336 1.543 1.00 0.00 C ATOM 1361 C PHE A 84 1.349 -7.063 1.090 1.00 0.00 C ATOM 1362 O PHE A 84 1.694 -8.120 1.618 1.00 0.00 O ATOM 1363 CB PHE A 84 0.217 -5.921 3.013 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.849 -4.975 3.494 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.190 -5.257 3.294 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.508 -3.802 4.157 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.170 -4.392 3.742 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.485 -2.935 4.607 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.817 -3.231 4.398 1.00 0.00 C ATOM 0 H PHE A 84 -1.186 -7.949 1.985 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.038 -5.435 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.196 -6.817 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.191 -5.455 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.473 -6.164 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.533 -3.566 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.212 -4.625 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.207 -2.027 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.582 -2.554 4.748 1.00 0.00 H new ATOM 1379 N TRP A 85 2.031 -6.492 0.101 1.00 0.00 N ATOM 1380 CA TRP A 85 3.251 -7.083 -0.438 1.00 0.00 C ATOM 1381 C TRP A 85 4.493 -6.494 0.230 1.00 0.00 C ATOM 1382 O TRP A 85 4.501 -5.328 0.624 1.00 0.00 O ATOM 1383 CB TRP A 85 3.308 -6.859 -1.949 1.00 0.00 C ATOM 1384 CG TRP A 85 2.065 -7.306 -2.654 1.00 0.00 C ATOM 1385 CD1 TRP A 85 1.095 -6.507 -3.188 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.650 -8.656 -2.893 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.105 -7.278 -3.747 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.423 -8.600 -3.579 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.198 -9.907 -2.596 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 -0.264 -9.746 -3.972 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 1.516 -11.044 -2.986 1.00 0.00 C ATOM 1392 CH2 TRP A 85 0.296 -10.956 -3.668 1.00 0.00 C ATOM 0 H TRP A 85 1.757 -5.616 -0.345 1.00 0.00 H new ATOM 0 HA TRP A 85 3.235 -8.153 -0.230 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.471 -5.800 -2.148 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.164 -7.395 -2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 85 1.105 -5.427 -3.173 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.731 -6.924 -4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.138 -9.984 -2.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -1.205 -9.681 -4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.930 -12.016 -2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -0.213 -11.863 -3.960 1.00 0.00 H new ATOM 1403 N LEU A 86 5.544 -7.307 0.354 1.00 0.00 N ATOM 1404 CA LEU A 86 6.786 -6.856 0.976 1.00 0.00 C ATOM 1405 C LEU A 86 7.814 -6.467 -0.083 1.00 0.00 C ATOM 1406 O LEU A 86 8.445 -7.318 -0.708 1.00 0.00 O ATOM 1407 CB LEU A 86 7.346 -7.943 1.893 1.00 0.00 C ATOM 1408 CG LEU A 86 8.761 -7.689 2.422 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.795 -6.427 3.270 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.252 -8.884 3.222 1.00 0.00 C ATOM 0 H LEU A 86 5.558 -8.275 0.033 1.00 0.00 H new ATOM 0 HA LEU A 86 6.567 -5.973 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.674 -8.060 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.343 -8.889 1.352 1.00 0.00 H new ATOM 0 HG LEU A 86 9.427 -7.548 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.808 -6.263 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.485 -5.574 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.116 -6.538 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.259 -8.686 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.584 -9.056 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.266 -9.768 2.584 1.00 0.00 H new ATOM 1422 N VAL A 87 7.961 -5.167 -0.264 1.00 0.00 N ATOM 1423 CA VAL A 87 8.883 -4.594 -1.240 1.00 0.00 C ATOM 1424 C VAL A 87 10.276 -4.436 -0.686 1.00 0.00 C ATOM 1425 O VAL A 87 10.451 -4.162 0.501 1.00 0.00 O ATOM 1426 CB VAL A 87 8.423 -3.217 -1.668 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.176 -2.758 -2.900 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.921 -3.208 -1.896 1.00 0.00 C ATOM 0 H VAL A 87 7.440 -4.468 0.266 1.00 0.00 H new ATOM 0 HA VAL A 87 8.896 -5.288 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 87 8.644 -2.510 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.829 -1.766 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.243 -2.720 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.998 -3.458 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.606 -2.211 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.667 -3.925 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.411 -3.481 -0.972 1.00 0.00 H new ATOM 1438 N GLU A 88 11.274 -4.615 -1.539 1.00 0.00 N ATOM 1439 CA GLU A 88 12.644 -4.487 -1.082 1.00 0.00 C ATOM 1440 C GLU A 88 13.301 -3.140 -1.433 1.00 0.00 C ATOM 1441 O GLU A 88 13.867 -2.493 -0.553 1.00 0.00 O ATOM 1442 CB GLU A 88 13.495 -5.639 -1.619 1.00 0.00 C ATOM 1443 CG GLU A 88 12.812 -6.994 -1.531 1.00 0.00 C ATOM 1444 CD GLU A 88 13.800 -8.144 -1.507 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.805 -8.079 -2.246 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.566 -9.110 -0.751 1.00 0.00 O ATOM 0 H GLU A 88 11.164 -4.844 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 88 12.597 -4.528 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.750 -5.437 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.432 -5.677 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.197 -7.029 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.141 -7.114 -2.381 1.00 0.00 H new ATOM 1453 N ARG A 89 13.267 -2.726 -2.704 1.00 0.00 N ATOM 1454 CA ARG A 89 13.909 -1.467 -3.103 1.00 0.00 C ATOM 1455 C ARG A 89 13.424 -0.970 -4.465 1.00 0.00 C ATOM 1456 O ARG A 89 12.819 -1.719 -5.231 1.00 0.00 O ATOM 1457 CB ARG A 89 15.437 -1.644 -3.102 1.00 0.00 C ATOM 1458 CG ARG A 89 16.131 -1.162 -4.370 1.00 0.00 C ATOM 1459 CD ARG A 89 17.638 -1.342 -4.285 1.00 0.00 C ATOM 1460 NE ARG A 89 18.345 -0.492 -5.240 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.362 -0.708 -6.554 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.715 -1.745 -7.072 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.028 0.115 -7.352 1.00 0.00 N ATOM 0 H ARG A 89 12.811 -3.233 -3.463 1.00 0.00 H new ATOM 0 HA ARG A 89 13.628 -0.706 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.852 -1.106 -2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.668 -2.699 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.746 -1.713 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.898 -0.110 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.974 -1.110 -3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.890 -2.386 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 89 18.855 0.314 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.201 -2.382 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.732 -1.905 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 89 19.527 0.913 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.041 -0.050 -8.358 1.00 0.00 H new ATOM 1477 N TRP A 90 13.724 0.298 -4.767 1.00 0.00 N ATOM 1478 CA TRP A 90 13.347 0.892 -6.046 1.00 0.00 C ATOM 1479 C TRP A 90 14.539 1.575 -6.714 1.00 0.00 C ATOM 1480 O TRP A 90 15.532 1.887 -6.056 1.00 0.00 O ATOM 1481 CB TRP A 90 12.185 1.872 -5.872 1.00 0.00 C ATOM 1482 CG TRP A 90 12.523 3.125 -5.121 1.00 0.00 C ATOM 1483 CD1 TRP A 90 13.031 4.280 -5.642 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.353 3.360 -3.718 1.00 0.00 C ATOM 1485 NE1 TRP A 90 13.177 5.221 -4.652 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.769 4.681 -3.464 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.887 2.586 -2.652 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.731 5.244 -2.192 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.850 3.147 -1.388 1.00 0.00 C ATOM 1490 CH2 TRP A 90 12.267 4.465 -1.169 1.00 0.00 C ATOM 0 H TRP A 90 14.226 0.928 -4.142 1.00 0.00 H new ATOM 0 HA TRP A 90 13.016 0.086 -6.701 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.810 2.147 -6.858 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.373 1.362 -5.353 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.282 4.432 -6.681 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.532 6.168 -4.782 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.562 1.569 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.056 6.259 -2.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.493 2.558 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.221 4.875 -0.171 1.00 0.00 H new ATOM 1501 N GLU A 91 14.448 1.792 -8.032 1.00 0.00 N ATOM 1502 CA GLU A 91 15.540 2.422 -8.772 1.00 0.00 C ATOM 1503 C GLU A 91 15.257 3.896 -9.034 1.00 0.00 C ATOM 1504 O GLU A 91 14.616 4.250 -10.024 1.00 0.00 O ATOM 1505 CB GLU A 91 15.774 1.697 -10.099 1.00 0.00 C ATOM 1506 CG GLU A 91 16.585 0.420 -9.960 1.00 0.00 C ATOM 1507 CD GLU A 91 15.820 -0.686 -9.260 1.00 0.00 C ATOM 1508 OE1 GLU A 91 15.604 -0.575 -8.035 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.435 -1.662 -9.937 1.00 0.00 O ATOM 0 H GLU A 91 13.638 1.543 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 91 16.438 2.350 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.810 1.458 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.287 2.370 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.887 0.077 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.498 0.633 -9.404 1.00 0.00 H new ATOM 1516 N GLY A 92 15.741 4.751 -8.141 1.00 0.00 N ATOM 1517 CA GLY A 92 15.528 6.178 -8.295 1.00 0.00 C ATOM 1518 C GLY A 92 14.404 6.681 -7.418 1.00 0.00 C ATOM 1519 O GLY A 92 14.532 6.726 -6.195 1.00 0.00 O ATOM 0 H GLY A 92 16.276 4.483 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.447 6.710 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.301 6.400 -9.338 1.00 0.00 H new ATOM 1523 N GLU A 93 13.299 7.059 -8.045 1.00 0.00 N ATOM 1524 CA GLU A 93 12.142 7.558 -7.316 1.00 0.00 C ATOM 1525 C GLU A 93 10.849 6.938 -7.846 1.00 0.00 C ATOM 1526 O GLU A 93 10.573 7.000 -9.043 1.00 0.00 O ATOM 1527 CB GLU A 93 12.064 9.079 -7.416 1.00 0.00 C ATOM 1528 CG GLU A 93 10.907 9.669 -6.630 1.00 0.00 C ATOM 1529 CD GLU A 93 11.103 11.139 -6.314 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.897 11.451 -5.401 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.463 11.980 -6.979 1.00 0.00 O ATOM 0 H GLU A 93 13.179 7.030 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 93 12.259 7.274 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.998 9.509 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.966 9.364 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.986 9.544 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.785 9.115 -5.699 1.00 0.00 H new ATOM 1538 N PRO A 94 10.023 6.345 -6.961 1.00 0.00 N ATOM 1539 CA PRO A 94 8.753 5.738 -7.351 1.00 0.00 C ATOM 1540 C PRO A 94 7.707 6.802 -7.627 1.00 0.00 C ATOM 1541 O PRO A 94 7.784 7.905 -7.084 1.00 0.00 O ATOM 1542 CB PRO A 94 8.353 4.886 -6.133 1.00 0.00 C ATOM 1543 CG PRO A 94 9.506 4.965 -5.184 1.00 0.00 C ATOM 1544 CD PRO A 94 10.238 6.231 -5.517 1.00 0.00 C ATOM 0 HA PRO A 94 8.836 5.150 -8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.441 5.266 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.157 3.854 -6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.159 4.976 -4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.159 4.099 -5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.835 7.088 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.297 6.166 -5.267 1.00 0.00 H new ATOM 1552 N TRP A 95 6.738 6.491 -8.476 1.00 0.00 N ATOM 1553 CA TRP A 95 5.710 7.465 -8.803 1.00 0.00 C ATOM 1554 C TRP A 95 4.379 6.818 -9.150 1.00 0.00 C ATOM 1555 O TRP A 95 3.371 7.037 -8.478 1.00 0.00 O ATOM 1556 CB TRP A 95 6.162 8.329 -9.984 1.00 0.00 C ATOM 1557 CG TRP A 95 6.820 7.550 -11.094 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.129 7.185 -11.163 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.203 7.039 -12.289 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.377 6.500 -12.330 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.212 6.399 -13.038 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.901 7.063 -12.800 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.959 5.796 -14.268 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.652 6.460 -14.020 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.676 5.838 -14.743 1.00 0.00 C ATOM 0 H TRP A 95 6.643 5.589 -8.943 1.00 0.00 H new ATOM 0 HA TRP A 95 5.564 8.076 -7.912 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.298 8.857 -10.387 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.858 9.086 -9.622 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.869 7.403 -10.408 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.282 6.128 -12.619 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.104 7.544 -12.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.747 5.313 -14.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.649 6.469 -14.422 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.449 5.382 -15.695 1.00 0.00 H new ATOM 1576 N GLY A 96 4.383 6.040 -10.222 1.00 0.00 N ATOM 1577 CA GLY A 96 3.172 5.382 -10.680 1.00 0.00 C ATOM 1578 C GLY A 96 1.960 6.300 -10.674 1.00 0.00 C ATOM 1579 O GLY A 96 1.776 7.105 -11.587 1.00 0.00 O ATOM 0 H GLY A 96 5.210 5.850 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.330 5.004 -11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.971 4.519 -10.045 1.00 0.00 H new ATOM 1583 N LYS A 97 1.134 6.175 -9.637 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.068 6.992 -9.504 1.00 0.00 C ATOM 1585 C LYS A 97 -0.815 6.668 -8.211 1.00 0.00 C ATOM 1586 O LYS A 97 -2.043 6.744 -8.156 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.995 6.778 -10.704 1.00 0.00 C ATOM 1588 CG LYS A 97 -2.019 7.885 -10.888 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.354 9.247 -11.002 1.00 0.00 C ATOM 1590 CE LYS A 97 -1.391 9.999 -9.682 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.720 10.624 -9.436 1.00 0.00 N ATOM 0 H LYS A 97 1.277 5.513 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 97 0.242 8.036 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.392 6.699 -11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.517 5.828 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.609 7.691 -11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.710 7.886 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.319 9.122 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.856 9.835 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.156 9.314 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.621 10.771 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.704 11.127 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.934 11.297 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.452 9.885 -9.410 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.066 6.309 -7.171 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.654 5.975 -5.876 1.00 0.00 C ATOM 1607 C GLU A 98 -1.365 7.181 -5.265 1.00 0.00 C ATOM 1608 O GLU A 98 -2.244 7.027 -4.417 1.00 0.00 O ATOM 1609 CB GLU A 98 0.427 5.463 -4.915 1.00 0.00 C ATOM 1610 CG GLU A 98 1.812 6.058 -5.157 1.00 0.00 C ATOM 1611 CD GLU A 98 1.784 7.556 -5.400 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.308 8.296 -4.515 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.243 7.989 -6.478 1.00 0.00 O ATOM 0 H GLU A 98 0.951 6.242 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.391 5.188 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.122 5.684 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.490 4.378 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.446 5.848 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.267 5.565 -6.016 1.00 0.00 H new ATOM 1620 N GLY A 99 -0.988 8.381 -5.701 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.614 9.584 -5.181 1.00 0.00 C ATOM 1622 C GLY A 99 -0.618 10.687 -4.870 1.00 0.00 C ATOM 1623 O GLY A 99 0.135 11.120 -5.743 1.00 0.00 O ATOM 0 H GLY A 99 -0.264 8.541 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.339 9.952 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.167 9.336 -4.275 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.624 11.146 -3.621 1.00 0.00 N ATOM 1628 CA GLN A 100 0.272 12.213 -3.184 1.00 0.00 C ATOM 1629 C GLN A 100 1.693 11.708 -2.985 1.00 0.00 C ATOM 1630 O GLN A 100 1.920 10.680 -2.348 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.244 12.837 -1.887 1.00 0.00 C ATOM 1632 CG GLN A 100 -0.564 11.817 -0.807 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.048 11.522 -0.706 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -2.422 10.276 -0.970 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -2.848 12.403 -0.394 1.00 0.00 N flip ATOM 0 H GLN A 100 -1.243 10.794 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 100 0.292 12.969 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.503 13.534 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.141 13.417 -2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.027 10.892 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.204 12.185 0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.516 13.348 -0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.843 12.189 -0.330 1.00 0.00 H new ATOM 1644 N PRO A 101 2.671 12.445 -3.532 1.00 0.00 N ATOM 1645 CA PRO A 101 4.089 12.099 -3.423 1.00 0.00 C ATOM 1646 C PRO A 101 4.478 11.650 -2.017 1.00 0.00 C ATOM 1647 O PRO A 101 3.932 12.134 -1.025 1.00 0.00 O ATOM 1648 CB PRO A 101 4.758 13.423 -3.765 1.00 0.00 C ATOM 1649 CG PRO A 101 3.857 14.034 -4.771 1.00 0.00 C ATOM 1650 CD PRO A 101 2.470 13.689 -4.309 1.00 0.00 C ATOM 0 HA PRO A 101 4.372 11.263 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.860 14.057 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.760 13.271 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.999 15.113 -4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.051 13.638 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.041 14.482 -3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.793 13.534 -5.149 1.00 0.00 H new ATOM 1658 N GLY A 102 5.423 10.718 -1.942 1.00 0.00 N ATOM 1659 CA GLY A 102 5.868 10.210 -0.658 1.00 0.00 C ATOM 1660 C GLY A 102 7.345 10.462 -0.404 1.00 0.00 C ATOM 1661 O GLY A 102 8.047 11.003 -1.258 1.00 0.00 O ATOM 0 H GLY A 102 5.889 10.305 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.283 10.677 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.673 9.139 -0.609 1.00 0.00 H new ATOM 1665 N GLU A 103 7.814 10.067 0.774 1.00 0.00 N ATOM 1666 CA GLU A 103 9.216 10.243 1.143 1.00 0.00 C ATOM 1667 C GLU A 103 9.722 9.016 1.896 1.00 0.00 C ATOM 1668 O GLU A 103 8.931 8.272 2.476 1.00 0.00 O ATOM 1669 CB GLU A 103 9.389 11.498 2.003 1.00 0.00 C ATOM 1670 CG GLU A 103 10.620 12.315 1.647 1.00 0.00 C ATOM 1671 CD GLU A 103 11.331 12.859 2.869 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.666 13.510 3.703 1.00 0.00 O ATOM 1673 OE2 GLU A 103 12.554 12.638 2.993 1.00 0.00 O ATOM 0 H GLU A 103 7.243 9.621 1.492 1.00 0.00 H new ATOM 0 HA GLU A 103 9.802 10.362 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.504 12.125 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.449 11.205 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.310 11.695 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.328 13.144 1.002 1.00 0.00 H new ATOM 1680 N TRP A 104 11.035 8.802 1.889 1.00 0.00 N ATOM 1681 CA TRP A 104 11.606 7.651 2.584 1.00 0.00 C ATOM 1682 C TRP A 104 11.402 7.800 4.089 1.00 0.00 C ATOM 1683 O TRP A 104 12.062 8.608 4.740 1.00 0.00 O ATOM 1684 CB TRP A 104 13.104 7.500 2.263 1.00 0.00 C ATOM 1685 CG TRP A 104 13.482 7.978 0.892 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.711 7.935 -0.233 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.726 8.572 0.505 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.399 8.465 -1.297 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.638 8.864 -0.870 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.905 8.888 1.186 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.685 9.454 -1.575 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.943 9.473 0.485 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.827 9.752 -0.882 1.00 0.00 C ATOM 0 H TRP A 104 11.715 9.399 1.418 1.00 0.00 H new ATOM 0 HA TRP A 104 11.094 6.752 2.239 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.682 8.054 3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.383 6.451 2.361 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.706 7.542 -0.280 1.00 0.00 H new ATOM 0 HE1 TRP A 104 13.045 8.548 -2.250 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.003 8.679 2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.599 9.668 -2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.859 9.719 1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.656 10.212 -1.400 1.00 0.00 H new ATOM 1704 N MET A 105 10.474 7.015 4.631 1.00 0.00 N ATOM 1705 CA MET A 105 10.168 7.056 6.059 1.00 0.00 C ATOM 1706 C MET A 105 10.406 5.701 6.713 1.00 0.00 C ATOM 1707 O MET A 105 10.489 4.682 6.033 1.00 0.00 O ATOM 1708 CB MET A 105 8.718 7.491 6.277 1.00 0.00 C ATOM 1709 CG MET A 105 7.696 6.501 5.737 1.00 0.00 C ATOM 1710 SD MET A 105 6.602 5.858 7.020 1.00 0.00 S ATOM 1711 CE MET A 105 5.694 7.335 7.463 1.00 0.00 C ATOM 0 H MET A 105 9.920 6.342 4.102 1.00 0.00 H new ATOM 0 HA MET A 105 10.835 7.782 6.524 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.546 7.631 7.344 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.562 8.458 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.098 6.987 4.966 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.217 5.671 5.260 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.951 7.091 8.223 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.384 8.082 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.193 7.733 6.580 1.00 0.00 H new ATOM 1721 N SER A 106 10.499 5.691 8.038 1.00 0.00 N ATOM 1722 CA SER A 106 10.713 4.452 8.776 1.00 0.00 C ATOM 1723 C SER A 106 9.391 3.717 8.980 1.00 0.00 C ATOM 1724 O SER A 106 8.497 4.208 9.670 1.00 0.00 O ATOM 1725 CB SER A 106 11.363 4.743 10.129 1.00 0.00 C ATOM 1726 OG SER A 106 10.597 5.672 10.876 1.00 0.00 O ATOM 0 H SER A 106 10.430 6.525 8.622 1.00 0.00 H new ATOM 0 HA SER A 106 11.381 3.817 8.194 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.466 3.816 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.368 5.136 9.976 1.00 0.00 H new ATOM 0 HG SER A 106 9.643 5.483 10.754 1.00 0.00 H new ATOM 1732 N LEU A 107 9.270 2.540 8.373 1.00 0.00 N ATOM 1733 CA LEU A 107 8.053 1.741 8.486 1.00 0.00 C ATOM 1734 C LEU A 107 7.870 1.200 9.903 1.00 0.00 C ATOM 1735 O LEU A 107 6.768 0.814 10.290 1.00 0.00 O ATOM 1736 CB LEU A 107 8.071 0.589 7.483 1.00 0.00 C ATOM 1737 CG LEU A 107 6.710 0.245 6.873 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.757 -0.256 7.947 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.123 1.457 6.162 1.00 0.00 C ATOM 0 H LEU A 107 9.999 2.118 7.798 1.00 0.00 H new ATOM 0 HA LEU A 107 7.209 2.393 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.761 0.839 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.466 -0.298 7.978 1.00 0.00 H new ATOM 0 HG LEU A 107 6.851 -0.549 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.794 -0.496 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.172 -1.149 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.621 0.518 8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.155 1.195 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.995 2.271 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.797 1.774 5.367 1.00 0.00 H new ATOM 1751 N VAL A 108 8.953 1.183 10.677 1.00 0.00 N ATOM 1752 CA VAL A 108 8.902 0.697 12.053 1.00 0.00 C ATOM 1753 C VAL A 108 7.929 1.518 12.900 1.00 0.00 C ATOM 1754 O VAL A 108 7.593 1.137 14.022 1.00 0.00 O ATOM 1755 CB VAL A 108 10.294 0.735 12.714 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.264 0.041 14.066 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.334 0.101 11.802 1.00 0.00 C ATOM 0 H VAL A 108 9.874 1.500 10.375 1.00 0.00 H new ATOM 0 HA VAL A 108 8.554 -0.335 12.006 1.00 0.00 H new ATOM 0 HB VAL A 108 10.572 1.777 12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.256 0.079 14.516 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.550 0.545 14.718 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.964 -0.999 13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.311 0.136 12.284 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.063 -0.937 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.374 0.648 10.860 1.00 0.00 H new ATOM 1767 N GLY A 109 7.470 2.640 12.352 1.00 0.00 N ATOM 1768 CA GLY A 109 6.537 3.494 13.053 1.00 0.00 C ATOM 1769 C GLY A 109 5.423 3.951 12.138 1.00 0.00 C ATOM 1770 O GLY A 109 5.188 5.149 11.972 1.00 0.00 O ATOM 0 H GLY A 109 7.734 2.972 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.116 2.957 13.903 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.063 4.361 13.452 1.00 0.00 H new ATOM 1774 N LEU A 110 4.753 2.983 11.531 1.00 0.00 N ATOM 1775 CA LEU A 110 3.662 3.253 10.603 1.00 0.00 C ATOM 1776 C LEU A 110 2.526 3.992 11.302 1.00 0.00 C ATOM 1777 O LEU A 110 2.328 3.847 12.508 1.00 0.00 O ATOM 1778 CB LEU A 110 3.159 1.935 10.016 1.00 0.00 C ATOM 1779 CG LEU A 110 2.537 2.017 8.620 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.388 2.874 7.694 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.366 0.620 8.046 1.00 0.00 C ATOM 0 H LEU A 110 4.948 1.991 11.666 1.00 0.00 H new ATOM 0 HA LEU A 110 4.030 3.890 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.993 1.234 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.419 1.515 10.698 1.00 0.00 H new ATOM 0 HG LEU A 110 1.557 2.487 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.924 2.916 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.467 3.882 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.384 2.439 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.923 0.687 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.339 0.133 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.714 0.037 8.696 1.00 0.00 H new ATOM 1793 N ASN A 111 1.801 4.811 10.542 1.00 0.00 N ATOM 1794 CA ASN A 111 0.710 5.601 11.101 1.00 0.00 C ATOM 1795 C ASN A 111 -0.666 5.045 10.756 1.00 0.00 C ATOM 1796 O ASN A 111 -1.230 5.356 9.707 1.00 0.00 O ATOM 1797 CB ASN A 111 0.816 7.051 10.626 1.00 0.00 C ATOM 1798 CG ASN A 111 0.693 8.042 11.767 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.226 8.861 11.799 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.622 7.973 12.714 1.00 0.00 N ATOM 0 H ASN A 111 1.950 4.943 9.542 1.00 0.00 H new ATOM 0 HA ASN A 111 0.811 5.552 12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.772 7.197 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.035 7.248 9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.591 8.614 13.507 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.366 7.279 12.648 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.220 4.252 11.671 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.552 3.693 11.485 1.00 0.00 C ATOM 1809 C ALA A 112 -3.606 4.791 11.656 1.00 0.00 C ATOM 1810 O ALA A 112 -4.750 4.645 11.228 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.804 2.561 12.469 1.00 0.00 C ATOM 0 H ALA A 112 -0.767 3.984 12.545 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.621 3.287 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.805 2.158 12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.067 1.773 12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.721 2.939 13.488 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.205 5.888 12.298 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.099 7.018 12.534 1.00 0.00 C ATOM 1819 C ASP A 113 -4.244 7.884 11.283 1.00 0.00 C ATOM 1820 O ASP A 113 -5.353 8.263 10.905 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.583 7.866 13.698 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.665 8.741 14.300 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.790 8.238 14.501 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.387 9.928 14.568 1.00 0.00 O ATOM 0 H ASP A 113 -2.262 6.017 12.665 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.082 6.619 12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.178 7.211 14.470 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.763 8.494 13.351 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.113 8.208 10.656 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.113 9.046 9.459 1.00 0.00 C ATOM 1831 C ASP A 114 -3.781 8.336 8.288 1.00 0.00 C ATOM 1832 O ASP A 114 -4.513 8.949 7.513 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.684 9.439 9.086 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.426 10.923 9.254 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.401 11.703 9.235 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.247 11.308 9.405 1.00 0.00 O ATOM 0 H ASP A 114 -2.187 7.903 10.957 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.685 9.947 9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.983 8.880 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.491 9.155 8.051 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.533 7.039 8.166 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.121 6.253 7.092 1.00 0.00 C ATOM 1843 C PHE A 115 -5.578 5.923 7.437 1.00 0.00 C ATOM 1844 O PHE A 115 -6.040 6.252 8.530 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.267 4.995 6.845 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.812 3.726 7.428 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.243 3.690 8.735 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.874 2.568 6.670 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.727 2.524 9.289 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.361 1.398 7.214 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.785 1.378 8.526 1.00 0.00 C ATOM 0 H PHE A 115 -2.930 6.511 8.796 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.131 6.822 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.150 4.861 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.271 5.166 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.201 4.587 9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.538 2.582 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.059 2.509 10.317 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.410 0.501 6.615 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.163 0.462 8.956 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.337 5.297 6.520 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.746 4.976 6.770 1.00 0.00 C ATOM 1863 C PRO A 116 -7.945 4.181 8.062 1.00 0.00 C ATOM 1864 O PRO A 116 -7.298 3.155 8.276 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.157 4.136 5.550 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.886 3.786 4.851 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.912 4.881 5.177 1.00 0.00 C ATOM 0 HA PRO A 116 -8.345 5.877 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.695 3.239 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.822 4.698 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.511 2.819 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.042 3.711 3.775 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.882 4.523 5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.969 5.701 4.461 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.848 4.654 8.948 1.00 0.00 N ATOM 1876 CA PRO A 117 -9.130 3.989 10.227 1.00 0.00 C ATOM 1877 C PRO A 117 -9.846 2.657 10.045 1.00 0.00 C ATOM 1878 O PRO A 117 -9.616 1.711 10.797 1.00 0.00 O ATOM 1879 CB PRO A 117 -10.034 4.985 10.957 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.679 5.776 9.874 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.660 5.874 8.774 1.00 0.00 C ATOM 0 HA PRO A 117 -8.215 3.748 10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.776 4.471 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.459 5.625 11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.588 5.288 9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.966 6.765 10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.131 5.906 7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.055 6.776 8.867 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.711 2.585 9.041 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.451 1.360 8.761 1.00 0.00 C ATOM 1891 C ALA A 118 -10.537 0.286 8.184 1.00 0.00 C ATOM 1892 O ALA A 118 -10.931 -0.871 8.039 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.608 1.644 7.816 1.00 0.00 C ATOM 0 H ALA A 118 -10.917 3.358 8.408 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.854 0.985 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.150 0.720 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.282 2.369 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.222 2.047 6.880 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.319 0.684 7.853 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.336 -0.218 7.284 1.00 0.00 C ATOM 1901 C ASN A 119 -7.249 -0.558 8.310 1.00 0.00 C ATOM 1902 O ASN A 119 -6.160 -1.005 7.948 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.728 0.459 6.062 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.507 0.168 4.791 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.423 -0.654 4.784 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.155 0.852 3.707 1.00 0.00 N ATOM 0 H ASN A 119 -8.986 1.641 7.972 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.813 -1.155 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.695 1.536 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.698 0.123 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.650 0.704 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.390 1.525 3.755 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.557 -0.328 9.589 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.620 -0.579 10.688 1.00 0.00 C ATOM 1915 C GLU A 120 -6.361 -2.067 10.955 1.00 0.00 C ATOM 1916 O GLU A 120 -5.279 -2.425 11.405 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.120 0.089 11.971 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.112 1.043 12.590 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.499 1.469 13.993 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.563 2.104 14.148 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.738 1.166 14.936 1.00 0.00 O ATOM 0 H GLU A 120 -8.460 0.036 9.892 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.670 -0.147 10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.038 0.634 11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.372 -0.683 12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.133 0.565 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.018 1.927 11.959 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.338 -2.963 10.722 1.00 0.00 N ATOM 1929 CA PRO A 121 -7.157 -4.394 10.994 1.00 0.00 C ATOM 1930 C PRO A 121 -5.802 -4.935 10.528 1.00 0.00 C ATOM 1931 O PRO A 121 -5.215 -5.795 11.185 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.296 -5.031 10.205 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.382 -4.013 10.249 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.697 -2.670 10.219 1.00 0.00 C ATOM 0 HA PRO A 121 -7.172 -4.610 12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.997 -5.251 9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.614 -5.972 10.653 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -10.056 -4.126 9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.984 -4.124 11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.671 -2.255 9.211 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.210 -1.944 10.849 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.305 -4.432 9.404 1.00 0.00 N ATOM 1943 CA VAL A 122 -4.016 -4.875 8.875 1.00 0.00 C ATOM 1944 C VAL A 122 -2.845 -4.240 9.622 1.00 0.00 C ATOM 1945 O VAL A 122 -1.917 -4.929 10.046 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.870 -4.547 7.374 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.529 -5.039 6.844 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -5.015 -5.147 6.576 1.00 0.00 C ATOM 0 H VAL A 122 -5.771 -3.720 8.842 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.992 -5.956 9.016 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.907 -3.464 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.446 -4.798 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.721 -4.553 7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.459 -6.119 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.891 -4.903 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.017 -6.230 6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.961 -4.740 6.934 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.880 -2.918 9.743 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.807 -2.175 10.396 1.00 0.00 C ATOM 1960 C ILE A 123 -1.860 -2.268 11.916 1.00 0.00 C ATOM 1961 O ILE A 123 -0.830 -2.365 12.566 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.839 -0.689 9.995 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.925 -0.553 8.474 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.607 0.029 10.529 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.579 -0.614 7.789 1.00 0.00 C ATOM 0 H ILE A 123 -3.643 -2.336 9.396 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.880 -2.638 10.057 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.723 -0.226 10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.561 -1.346 8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.407 0.393 8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.643 1.079 10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.585 -0.046 11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.290 -0.432 10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.714 -0.511 6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.052 0.196 8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.104 -1.571 8.005 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.052 -2.216 12.484 1.00 0.00 N ATOM 1978 CA ALA A 124 -3.203 -2.270 13.933 1.00 0.00 C ATOM 1979 C ALA A 124 -2.505 -3.488 14.531 1.00 0.00 C ATOM 1980 O ALA A 124 -2.100 -3.469 15.694 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.676 -2.269 14.309 1.00 0.00 C ATOM 0 H ALA A 124 -3.929 -2.137 11.969 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.726 -1.382 14.347 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.775 -2.310 15.394 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.146 -1.359 13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.165 -3.137 13.868 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.369 -4.548 13.742 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.720 -5.766 14.223 1.00 0.00 C ATOM 1989 C LYS A 125 -0.193 -5.656 14.181 1.00 0.00 C ATOM 1990 O LYS A 125 0.478 -5.885 15.187 1.00 0.00 O ATOM 1991 CB LYS A 125 -2.177 -6.967 13.391 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.582 -8.287 13.850 1.00 0.00 C ATOM 1993 CD LYS A 125 -2.319 -9.471 13.245 1.00 0.00 C ATOM 1994 CE LYS A 125 -3.420 -9.972 14.164 1.00 0.00 C ATOM 1995 NZ LYS A 125 -4.754 -9.440 13.776 1.00 0.00 N ATOM 0 H LYS A 125 -2.695 -4.591 12.776 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.014 -5.905 15.263 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.264 -7.034 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.907 -6.800 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.530 -8.330 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.624 -8.348 14.937 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.748 -9.182 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.613 -10.278 13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.443 -11.062 14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.197 -9.679 15.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -5.497 -9.967 14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.813 -8.433 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.885 -9.547 12.750 1.00 0.00 H new ATOM 2009 N LEU A 126 0.348 -5.316 13.015 1.00 0.00 N ATOM 2010 CA LEU A 126 1.793 -5.190 12.844 1.00 0.00 C ATOM 2011 C LEU A 126 2.308 -3.863 13.389 1.00 0.00 C ATOM 2012 O LEU A 126 3.447 -3.772 13.847 1.00 0.00 O ATOM 2013 CB LEU A 126 2.171 -5.347 11.370 1.00 0.00 C ATOM 2014 CG LEU A 126 2.823 -6.685 11.015 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.237 -6.754 11.573 1.00 0.00 C ATOM 2016 CD2 LEU A 126 1.985 -7.843 11.535 1.00 0.00 C ATOM 0 H LEU A 126 -0.193 -5.122 12.172 1.00 0.00 H new ATOM 0 HA LEU A 126 2.266 -5.988 13.416 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.273 -5.224 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.853 -4.542 11.096 1.00 0.00 H new ATOM 0 HG LEU A 126 2.878 -6.763 9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.685 -7.712 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.835 -5.946 11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.205 -6.653 12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.465 -8.786 11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.896 -7.770 12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.992 -7.804 11.086 1.00 0.00 H new ATOM 2028 N LYS A 127 1.467 -2.836 13.338 1.00 0.00 N ATOM 2029 CA LYS A 127 1.840 -1.514 13.832 1.00 0.00 C ATOM 2030 C LYS A 127 2.327 -1.605 15.265 1.00 0.00 C ATOM 2031 O LYS A 127 3.326 -0.990 15.638 1.00 0.00 O ATOM 2032 CB LYS A 127 0.649 -0.570 13.762 1.00 0.00 C ATOM 2033 CG LYS A 127 0.935 0.821 14.305 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.279 1.726 14.188 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.469 1.167 14.954 1.00 0.00 C ATOM 2036 NZ LYS A 127 -2.073 2.182 15.861 1.00 0.00 N ATOM 0 H LYS A 127 0.522 -2.893 12.959 1.00 0.00 H new ATOM 0 HA LYS A 127 2.643 -1.128 13.204 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.325 -0.485 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.180 -1.004 14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.237 0.750 15.350 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.771 1.260 13.761 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.033 2.717 14.569 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.545 1.845 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.222 0.817 14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.152 0.302 15.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.094 2.003 15.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.626 2.120 16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.921 3.133 15.468 1.00 0.00 H new ATOM 2050 N ARG A 128 1.622 -2.404 16.057 1.00 0.00 N ATOM 2051 CA ARG A 128 1.986 -2.612 17.448 1.00 0.00 C ATOM 2052 C ARG A 128 3.308 -3.370 17.529 1.00 0.00 C ATOM 2053 O ARG A 128 3.865 -3.555 18.610 1.00 0.00 O ATOM 2054 CB ARG A 128 0.887 -3.390 18.174 1.00 0.00 C ATOM 2055 CG ARG A 128 1.108 -3.502 19.674 1.00 0.00 C ATOM 2056 CD ARG A 128 -0.187 -3.813 20.406 1.00 0.00 C ATOM 2057 NE ARG A 128 -1.227 -2.829 20.119 1.00 0.00 N ATOM 2058 CZ ARG A 128 -2.525 -3.039 20.331 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.944 -4.196 20.830 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -3.405 -2.091 20.042 1.00 0.00 N ATOM 0 H ARG A 128 0.794 -2.918 15.756 1.00 0.00 H new ATOM 0 HA ARG A 128 2.102 -1.642 17.932 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.071 -2.904 17.992 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.822 -4.392 17.749 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.839 -4.284 19.878 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.526 -2.569 20.052 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.537 -4.805 20.119 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.001 -3.840 21.479 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.943 -1.928 19.734 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.271 -4.929 21.053 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.939 -4.352 20.990 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.088 -1.201 19.657 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.399 -2.251 20.204 1.00 0.00 H new ATOM 2074 N LEU A 129 3.805 -3.803 16.368 1.00 0.00 N ATOM 2075 CA LEU A 129 5.061 -4.536 16.296 1.00 0.00 C ATOM 2076 C LEU A 129 5.024 -5.774 17.186 1.00 0.00 C ATOM 2077 O LEU A 129 6.062 -6.253 17.644 1.00 0.00 O ATOM 2078 CB LEU A 129 6.226 -3.634 16.704 1.00 0.00 C ATOM 2079 CG LEU A 129 6.046 -2.141 16.411 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.000 -1.315 17.258 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.260 -1.853 14.932 1.00 0.00 C ATOM 0 H LEU A 129 3.352 -3.656 15.466 1.00 0.00 H new ATOM 0 HA LEU A 129 5.204 -4.859 15.265 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.399 -3.757 17.773 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.125 -3.980 16.193 1.00 0.00 H new ATOM 0 HG LEU A 129 5.024 -1.862 16.669 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.859 -0.257 17.038 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.799 -1.496 18.314 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.027 -1.599 17.031 1.00 0.00 H new ATOM 0 HD21 LEU A 129 6.127 -0.787 14.746 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.269 -2.148 14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 129 5.537 -2.417 14.343 1.00 0.00 H new