USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 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 20 SER OG : rot -14:sc= 0.751! USER MOD Set 1.2: A 22 THR OG1 : rot -37:sc= 0.313 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.295 F(o=-1.1,f=1.4) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0122 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.364 F(o=-2.8!,f=-0.36) USER MOD Single : A 16 SER OG : rot -53:sc= 0.202 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= -0.0728 (180deg=-1.11) USER MOD Single : A 27 TYR OH : rot 150:sc= -0.133 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -5.27 F(o=-6.9!,f=-5.3) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -0.628 (180deg=-0.747) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 98:sc= 1.15 USER MOD Single : A 41 GLN :FLIP amide:sc= -2.29 F(o=-3.3!,f=-2.3) USER MOD Single : A 46 HIS : no HE2:sc= -6.47 K(o=-6.5,f=-7!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 51 GLN : amide:sc=-0.00508 K(o=-0.0051,f=-0.97) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.99! C(o=-4.9!,f=-2!) USER MOD Single : A 62 GLN : amide:sc= -3.99! K(o=-4!,f=-6.9) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.369 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.475 K(o=-0.47,f=-3.8!) USER MOD Single : A 74 THR OG1 : rot 161:sc= 0.433 USER MOD Single : A 90 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.8) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0491 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.327 -40.858 -2.728 1.00 0.00 N ATOM 2 CA GLY A 1 -7.451 -40.374 -1.366 1.00 0.00 C ATOM 3 C GLY A 1 -7.216 -38.881 -1.257 1.00 0.00 C ATOM 4 O GLY A 1 -6.384 -38.324 -1.972 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.762 -41.731 -2.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.273 -41.054 -3.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.857 -40.136 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.446 -40.610 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.737 -40.898 -0.731 1.00 0.00 H new ATOM 8 N SER A 2 -7.950 -38.232 -0.360 1.00 0.00 N ATOM 9 CA SER A 2 -7.820 -36.792 -0.164 1.00 0.00 C ATOM 10 C SER A 2 -7.322 -36.479 1.244 1.00 0.00 C ATOM 11 O SER A 2 -7.473 -37.285 2.162 1.00 0.00 O ATOM 12 CB SER A 2 -9.163 -36.100 -0.406 1.00 0.00 C ATOM 13 OG SER A 2 -10.114 -36.472 0.577 1.00 0.00 O ATOM 0 H SER A 2 -8.641 -38.679 0.243 1.00 0.00 H new ATOM 0 HA SER A 2 -7.091 -36.417 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.026 -35.019 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.537 -36.362 -1.396 1.00 0.00 H new ATOM 0 HG SER A 2 -10.963 -36.015 0.401 1.00 0.00 H new ATOM 19 N SER A 3 -6.726 -35.301 1.405 1.00 0.00 N ATOM 20 CA SER A 3 -6.200 -34.881 2.698 1.00 0.00 C ATOM 21 C SER A 3 -6.967 -33.675 3.230 1.00 0.00 C ATOM 22 O SER A 3 -7.685 -33.005 2.489 1.00 0.00 O ATOM 23 CB SER A 3 -4.712 -34.543 2.582 1.00 0.00 C ATOM 24 OG SER A 3 -3.913 -35.705 2.714 1.00 0.00 O ATOM 0 H SER A 3 -6.596 -34.621 0.656 1.00 0.00 H new ATOM 0 HA SER A 3 -6.324 -35.707 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.517 -34.071 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.439 -33.821 3.351 1.00 0.00 H new ATOM 0 HG SER A 3 -2.967 -35.462 2.634 1.00 0.00 H new ATOM 30 N GLY A 4 -6.810 -33.405 4.523 1.00 0.00 N ATOM 31 CA GLY A 4 -7.493 -32.280 5.134 1.00 0.00 C ATOM 32 C GLY A 4 -6.759 -30.971 4.922 1.00 0.00 C ATOM 33 O GLY A 4 -5.980 -30.833 3.979 1.00 0.00 O ATOM 0 H GLY A 4 -6.222 -33.945 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.498 -32.201 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.602 -32.463 6.203 1.00 0.00 H new ATOM 37 N SER A 5 -7.009 -30.004 5.800 1.00 0.00 N ATOM 38 CA SER A 5 -6.372 -28.697 5.701 1.00 0.00 C ATOM 39 C SER A 5 -5.637 -28.353 6.993 1.00 0.00 C ATOM 40 O SER A 5 -6.196 -28.454 8.084 1.00 0.00 O ATOM 41 CB SER A 5 -7.412 -27.620 5.390 1.00 0.00 C ATOM 42 OG SER A 5 -7.899 -27.750 4.066 1.00 0.00 O ATOM 0 H SER A 5 -7.649 -30.102 6.588 1.00 0.00 H new ATOM 0 HA SER A 5 -5.646 -28.735 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.240 -27.695 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.969 -26.633 5.523 1.00 0.00 H new ATOM 0 HG SER A 5 -8.564 -27.051 3.892 1.00 0.00 H new ATOM 48 N SER A 6 -4.378 -27.946 6.860 1.00 0.00 N ATOM 49 CA SER A 6 -3.564 -27.590 8.015 1.00 0.00 C ATOM 50 C SER A 6 -3.897 -26.183 8.502 1.00 0.00 C ATOM 51 O SER A 6 -4.249 -25.983 9.665 1.00 0.00 O ATOM 52 CB SER A 6 -2.077 -27.681 7.666 1.00 0.00 C ATOM 53 OG SER A 6 -1.734 -28.987 7.236 1.00 0.00 O ATOM 0 H SER A 6 -3.900 -27.855 5.963 1.00 0.00 H new ATOM 0 HA SER A 6 -3.786 -28.296 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.839 -26.962 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.479 -27.412 8.537 1.00 0.00 H new ATOM 0 HG SER A 6 -0.779 -29.019 7.017 1.00 0.00 H new ATOM 59 N GLY A 7 -3.786 -25.210 7.604 1.00 0.00 N ATOM 60 CA GLY A 7 -4.078 -23.833 7.959 1.00 0.00 C ATOM 61 C GLY A 7 -2.825 -22.995 8.113 1.00 0.00 C ATOM 62 O GLY A 7 -1.891 -23.387 8.812 1.00 0.00 O ATOM 0 H GLY A 7 -3.499 -25.350 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.715 -23.391 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.641 -23.813 8.892 1.00 0.00 H new ATOM 66 N GLU A 8 -2.804 -21.839 7.459 1.00 0.00 N ATOM 67 CA GLU A 8 -1.654 -20.945 7.525 1.00 0.00 C ATOM 68 C GLU A 8 -1.030 -20.964 8.918 1.00 0.00 C ATOM 69 O GLU A 8 -1.729 -20.842 9.924 1.00 0.00 O ATOM 70 CB GLU A 8 -2.067 -19.518 7.159 1.00 0.00 C ATOM 71 CG GLU A 8 -2.055 -19.246 5.664 1.00 0.00 C ATOM 72 CD GLU A 8 -3.020 -18.148 5.264 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.244 -18.351 5.407 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.551 -17.084 4.806 1.00 0.00 O ATOM 0 H GLU A 8 -3.570 -21.499 6.877 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.912 -21.296 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.068 -19.328 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.395 -18.816 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.047 -18.968 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.310 -20.161 5.130 1.00 0.00 H new ATOM 81 N GLN A 9 0.289 -21.118 8.967 1.00 0.00 N ATOM 82 CA GLN A 9 1.008 -21.154 10.236 1.00 0.00 C ATOM 83 C GLN A 9 1.562 -19.778 10.587 1.00 0.00 C ATOM 84 O GLN A 9 1.773 -18.942 9.709 1.00 0.00 O ATOM 85 CB GLN A 9 2.145 -22.175 10.173 1.00 0.00 C ATOM 86 CG GLN A 9 3.182 -21.865 9.106 1.00 0.00 C ATOM 87 CD GLN A 9 2.807 -22.425 7.748 1.00 0.00 C ATOM 88 OE1 GLN A 9 2.303 -21.564 6.872 1.00 0.00 O flip ATOM 89 NE2 GLN A 9 2.969 -23.618 7.489 1.00 0.00 N flip ATOM 0 H GLN A 9 0.882 -21.220 8.143 1.00 0.00 H new ATOM 0 HA GLN A 9 0.306 -21.451 11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.637 -22.219 11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.725 -23.163 9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.306 -20.785 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.145 -22.275 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.360 -24.244 8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.712 -23.980 6.571 1.00 0.00 H new ATOM 98 N GLU A 10 1.796 -19.550 11.876 1.00 0.00 N ATOM 99 CA GLU A 10 2.325 -18.274 12.341 1.00 0.00 C ATOM 100 C GLU A 10 1.561 -17.109 11.720 1.00 0.00 C ATOM 101 O GLU A 10 2.155 -16.112 11.309 1.00 0.00 O ATOM 102 CB GLU A 10 3.813 -18.160 12.005 1.00 0.00 C ATOM 103 CG GLU A 10 4.642 -19.332 12.503 1.00 0.00 C ATOM 104 CD GLU A 10 6.082 -18.951 12.783 1.00 0.00 C ATOM 105 OE1 GLU A 10 6.304 -18.009 13.573 1.00 0.00 O ATOM 106 OE2 GLU A 10 6.987 -19.596 12.213 1.00 0.00 O ATOM 0 H GLU A 10 1.628 -20.232 12.616 1.00 0.00 H new ATOM 0 HA GLU A 10 2.200 -18.231 13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.927 -18.079 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.205 -17.239 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.192 -19.730 13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.619 -20.130 11.761 1.00 0.00 H new ATOM 113 N ASP A 11 0.241 -17.242 11.655 1.00 0.00 N ATOM 114 CA ASP A 11 -0.606 -16.201 11.084 1.00 0.00 C ATOM 115 C ASP A 11 -0.750 -15.028 12.049 1.00 0.00 C ATOM 116 O ASP A 11 -0.595 -13.870 11.661 1.00 0.00 O ATOM 117 CB ASP A 11 -1.984 -16.767 10.740 1.00 0.00 C ATOM 118 CG ASP A 11 -2.780 -17.143 11.974 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.215 -17.816 12.861 1.00 0.00 O ATOM 120 OD2 ASP A 11 -3.969 -16.765 12.053 1.00 0.00 O ATOM 0 H ASP A 11 -0.266 -18.061 11.991 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.132 -15.841 10.171 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.542 -16.031 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.865 -17.646 10.106 1.00 0.00 H new ATOM 125 N ARG A 12 -1.048 -15.336 13.307 1.00 0.00 N ATOM 126 CA ARG A 12 -1.216 -14.308 14.327 1.00 0.00 C ATOM 127 C ARG A 12 -0.116 -13.254 14.221 1.00 0.00 C ATOM 128 O ARG A 12 -0.336 -12.082 14.525 1.00 0.00 O ATOM 129 CB ARG A 12 -1.203 -14.936 15.721 1.00 0.00 C ATOM 130 CG ARG A 12 0.122 -15.583 16.086 1.00 0.00 C ATOM 131 CD ARG A 12 -0.065 -16.710 17.090 1.00 0.00 C ATOM 132 NE ARG A 12 1.110 -17.572 17.171 1.00 0.00 N ATOM 133 CZ ARG A 12 1.359 -18.382 18.194 1.00 0.00 C ATOM 134 NH1 ARG A 12 0.517 -18.440 19.217 1.00 0.00 N ATOM 135 NH2 ARG A 12 2.450 -19.137 18.195 1.00 0.00 N ATOM 0 H ARG A 12 -1.178 -16.290 13.644 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.178 -13.823 14.164 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.438 -14.168 16.458 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.992 -15.686 15.780 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.598 -15.972 15.186 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.793 -14.831 16.502 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.274 -16.288 18.073 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.933 -17.306 16.808 1.00 0.00 H new ATOM 0 HE ARG A 12 1.777 -17.551 16.399 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.323 -17.862 19.219 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.710 -19.063 20.002 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.099 -19.096 17.409 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.640 -19.758 18.981 1.00 0.00 H new ATOM 149 N ALA A 13 1.066 -13.681 13.790 1.00 0.00 N ATOM 150 CA ALA A 13 2.198 -12.775 13.643 1.00 0.00 C ATOM 151 C ALA A 13 2.252 -12.187 12.238 1.00 0.00 C ATOM 152 O ALA A 13 2.535 -11.002 12.059 1.00 0.00 O ATOM 153 CB ALA A 13 3.497 -13.498 13.966 1.00 0.00 C ATOM 0 H ALA A 13 1.265 -14.649 13.536 1.00 0.00 H new ATOM 0 HA ALA A 13 2.068 -11.953 14.347 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.335 -12.810 13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.465 -13.863 14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.624 -14.340 13.285 1.00 0.00 H new ATOM 159 N LEU A 14 1.979 -13.022 11.241 1.00 0.00 N ATOM 160 CA LEU A 14 1.998 -12.585 9.849 1.00 0.00 C ATOM 161 C LEU A 14 1.028 -11.429 9.629 1.00 0.00 C ATOM 162 O LEU A 14 1.395 -10.395 9.069 1.00 0.00 O ATOM 163 CB LEU A 14 1.640 -13.749 8.923 1.00 0.00 C ATOM 164 CG LEU A 14 2.741 -14.783 8.690 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.159 -16.064 8.114 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.814 -14.221 7.766 1.00 0.00 C ATOM 0 H LEU A 14 1.742 -14.006 11.371 1.00 0.00 H new ATOM 0 HA LEU A 14 3.005 -12.240 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.770 -14.260 9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.342 -13.341 7.957 1.00 0.00 H new ATOM 0 HG LEU A 14 3.201 -15.017 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.959 -16.788 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.429 -16.477 8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.672 -15.847 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.590 -14.971 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.367 -13.958 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.254 -13.332 8.218 1.00 0.00 H new ATOM 178 N ARG A 15 -0.211 -11.609 10.075 1.00 0.00 N ATOM 179 CA ARG A 15 -1.234 -10.581 9.927 1.00 0.00 C ATOM 180 C ARG A 15 -0.793 -9.278 10.586 1.00 0.00 C ATOM 181 O ARG A 15 -1.388 -8.224 10.360 1.00 0.00 O ATOM 182 CB ARG A 15 -2.554 -11.053 10.540 1.00 0.00 C ATOM 183 CG ARG A 15 -2.531 -11.122 12.057 1.00 0.00 C ATOM 184 CD ARG A 15 -3.864 -11.599 12.613 1.00 0.00 C ATOM 185 NE ARG A 15 -4.213 -12.933 12.129 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.311 -13.583 12.495 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.165 -13.026 13.343 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.559 -14.794 12.011 1.00 0.00 N ATOM 0 H ARG A 15 -0.531 -12.458 10.542 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.380 -10.399 8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.351 -10.379 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.797 -12.039 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.738 -11.797 12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.297 -10.138 12.464 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.820 -11.608 13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.647 -10.895 12.332 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.578 -13.390 11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.979 -12.095 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.008 -13.528 13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.906 -15.226 11.357 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.403 -15.293 12.293 1.00 0.00 H new ATOM 202 N SER A 16 0.253 -9.357 11.403 1.00 0.00 N ATOM 203 CA SER A 16 0.771 -8.184 12.099 1.00 0.00 C ATOM 204 C SER A 16 2.032 -7.662 11.418 1.00 0.00 C ATOM 205 O SER A 16 3.002 -7.294 12.080 1.00 0.00 O ATOM 206 CB SER A 16 1.070 -8.523 13.560 1.00 0.00 C ATOM 207 OG SER A 16 1.284 -7.349 14.322 1.00 0.00 O ATOM 0 H SER A 16 0.758 -10.221 11.599 1.00 0.00 H new ATOM 0 HA SER A 16 0.010 -7.405 12.063 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.239 -9.088 13.983 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.951 -9.162 13.615 1.00 0.00 H new ATOM 0 HG SER A 16 1.974 -6.802 13.893 1.00 0.00 H new ATOM 213 N PHE A 17 2.012 -7.635 10.089 1.00 0.00 N ATOM 214 CA PHE A 17 3.153 -7.159 9.317 1.00 0.00 C ATOM 215 C PHE A 17 2.889 -5.764 8.758 1.00 0.00 C ATOM 216 O PHE A 17 1.944 -5.556 7.995 1.00 0.00 O ATOM 217 CB PHE A 17 3.462 -8.128 8.173 1.00 0.00 C ATOM 218 CG PHE A 17 4.184 -7.488 7.023 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.489 -6.767 6.065 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.560 -7.605 6.899 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.151 -6.178 5.006 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.228 -7.018 5.842 1.00 0.00 C ATOM 223 CZ PHE A 17 5.522 -6.302 4.895 1.00 0.00 C ATOM 0 H PHE A 17 1.218 -7.937 9.525 1.00 0.00 H new ATOM 0 HA PHE A 17 4.014 -7.107 9.984 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.065 -8.951 8.557 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.529 -8.559 7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.417 -6.665 6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.117 -8.162 7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.597 -5.621 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.300 -7.119 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.042 -5.840 4.069 1.00 0.00 H new ATOM 233 N LYS A 18 3.728 -4.809 9.144 1.00 0.00 N ATOM 234 CA LYS A 18 3.588 -3.433 8.684 1.00 0.00 C ATOM 235 C LYS A 18 4.647 -3.099 7.639 1.00 0.00 C ATOM 236 O LYS A 18 5.846 -3.224 7.893 1.00 0.00 O ATOM 237 CB LYS A 18 3.696 -2.465 9.863 1.00 0.00 C ATOM 238 CG LYS A 18 3.075 -1.106 9.593 1.00 0.00 C ATOM 239 CD LYS A 18 3.774 -0.007 10.376 1.00 0.00 C ATOM 240 CE LYS A 18 5.024 0.479 9.658 1.00 0.00 C ATOM 241 NZ LYS A 18 5.964 1.168 10.585 1.00 0.00 N ATOM 0 H LYS A 18 4.514 -4.963 9.776 1.00 0.00 H new ATOM 0 HA LYS A 18 2.605 -3.328 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.212 -2.910 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.747 -2.331 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.130 -0.885 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.018 -1.128 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.089 0.828 10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.042 -0.378 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.528 -0.368 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.740 1.160 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.803 1.484 10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.492 1.991 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.255 0.510 11.336 1.00 0.00 H new ATOM 255 N LEU A 19 4.199 -2.671 6.464 1.00 0.00 N ATOM 256 CA LEU A 19 5.109 -2.317 5.380 1.00 0.00 C ATOM 257 C LEU A 19 5.090 -0.813 5.124 1.00 0.00 C ATOM 258 O LEU A 19 4.083 -0.146 5.357 1.00 0.00 O ATOM 259 CB LEU A 19 4.731 -3.069 4.103 1.00 0.00 C ATOM 260 CG LEU A 19 5.412 -2.595 2.819 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.846 -3.099 2.758 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.630 -3.059 1.598 1.00 0.00 C ATOM 0 H LEU A 19 3.211 -2.561 6.237 1.00 0.00 H new ATOM 0 HA LEU A 19 6.118 -2.604 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.962 -4.125 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.652 -2.995 3.967 1.00 0.00 H new ATOM 0 HG LEU A 19 5.431 -1.505 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.315 -2.752 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.402 -2.718 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.850 -4.189 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.129 -2.713 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.579 -4.148 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.621 -2.649 1.635 1.00 0.00 H new ATOM 274 N SER A 20 6.210 -0.286 4.638 1.00 0.00 N ATOM 275 CA SER A 20 6.323 1.138 4.351 1.00 0.00 C ATOM 276 C SER A 20 6.769 1.368 2.909 1.00 0.00 C ATOM 277 O SER A 20 7.872 0.985 2.521 1.00 0.00 O ATOM 278 CB SER A 20 7.311 1.798 5.314 1.00 0.00 C ATOM 279 OG SER A 20 8.628 1.773 4.790 1.00 0.00 O ATOM 0 H SER A 20 7.052 -0.825 4.435 1.00 0.00 H new ATOM 0 HA SER A 20 5.340 1.589 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.009 2.829 5.499 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.288 1.282 6.274 1.00 0.00 H new ATOM 0 HG SER A 20 8.669 1.146 4.038 1.00 0.00 H new ATOM 285 N VAL A 21 5.903 1.997 2.121 1.00 0.00 N ATOM 286 CA VAL A 21 6.206 2.280 0.724 1.00 0.00 C ATOM 287 C VAL A 21 6.706 3.710 0.548 1.00 0.00 C ATOM 288 O VAL A 21 5.999 4.670 0.858 1.00 0.00 O ATOM 289 CB VAL A 21 4.972 2.065 -0.173 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.386 1.955 -1.632 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.203 0.829 0.267 1.00 0.00 C ATOM 0 H VAL A 21 4.985 2.320 2.427 1.00 0.00 H new ATOM 0 HA VAL A 21 6.990 1.585 0.424 1.00 0.00 H new ATOM 0 HB VAL A 21 4.315 2.928 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.502 1.803 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.890 2.872 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.064 1.110 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.335 0.692 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.849 -0.046 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.873 0.954 1.298 1.00 0.00 H new ATOM 301 N THR A 22 7.930 3.845 0.049 1.00 0.00 N ATOM 302 CA THR A 22 8.526 5.157 -0.168 1.00 0.00 C ATOM 303 C THR A 22 8.002 5.794 -1.450 1.00 0.00 C ATOM 304 O THR A 22 8.379 5.397 -2.552 1.00 0.00 O ATOM 305 CB THR A 22 10.063 5.071 -0.241 1.00 0.00 C ATOM 306 OG1 THR A 22 10.565 4.321 0.869 1.00 0.00 O ATOM 307 CG2 THR A 22 10.682 6.461 -0.244 1.00 0.00 C ATOM 0 H THR A 22 8.528 3.061 -0.213 1.00 0.00 H new ATOM 0 HA THR A 22 8.244 5.777 0.683 1.00 0.00 H new ATOM 0 HB THR A 22 10.334 4.568 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.035 4.524 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.767 6.376 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.320 7.019 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.403 6.986 0.670 1.00 0.00 H new ATOM 315 N VAL A 23 7.131 6.787 -1.298 1.00 0.00 N ATOM 316 CA VAL A 23 6.556 7.482 -2.445 1.00 0.00 C ATOM 317 C VAL A 23 6.136 8.899 -2.074 1.00 0.00 C ATOM 318 O VAL A 23 5.441 9.112 -1.081 1.00 0.00 O ATOM 319 CB VAL A 23 5.335 6.726 -3.003 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.668 7.532 -4.106 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.746 5.352 -3.511 1.00 0.00 C ATOM 0 H VAL A 23 6.808 7.128 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 23 7.330 7.525 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 23 4.614 6.590 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.808 6.983 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.338 8.491 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.379 7.701 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.871 4.832 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.486 5.463 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.176 4.775 -2.692 1.00 0.00 H new ATOM 331 N ASP A 24 6.562 9.866 -2.880 1.00 0.00 N ATOM 332 CA ASP A 24 6.229 11.265 -2.639 1.00 0.00 C ATOM 333 C ASP A 24 4.748 11.422 -2.308 1.00 0.00 C ATOM 334 O ASP A 24 3.889 10.731 -2.854 1.00 0.00 O ATOM 335 CB ASP A 24 6.585 12.114 -3.860 1.00 0.00 C ATOM 336 CG ASP A 24 8.075 12.373 -3.972 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.779 11.536 -4.575 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.536 13.412 -3.456 1.00 0.00 O ATOM 0 H ASP A 24 7.139 9.706 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 24 6.812 11.610 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.238 11.611 -4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.057 13.066 -3.803 1.00 0.00 H new ATOM 343 N PRO A 25 4.442 12.351 -1.391 1.00 0.00 N ATOM 344 CA PRO A 25 3.065 12.621 -0.966 1.00 0.00 C ATOM 345 C PRO A 25 2.241 13.288 -2.061 1.00 0.00 C ATOM 346 O PRO A 25 1.052 13.553 -1.883 1.00 0.00 O ATOM 347 CB PRO A 25 3.240 13.567 0.224 1.00 0.00 C ATOM 348 CG PRO A 25 4.552 14.232 -0.009 1.00 0.00 C ATOM 349 CD PRO A 25 5.416 13.212 -0.699 1.00 0.00 C ATOM 0 HA PRO A 25 2.526 11.705 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.430 14.295 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.235 13.021 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.434 15.124 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.000 14.551 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.108 13.680 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.017 12.647 0.013 1.00 0.00 H new ATOM 357 N LYS A 26 2.879 13.558 -3.194 1.00 0.00 N ATOM 358 CA LYS A 26 2.205 14.193 -4.320 1.00 0.00 C ATOM 359 C LYS A 26 1.321 13.194 -5.060 1.00 0.00 C ATOM 360 O LYS A 26 0.418 13.580 -5.802 1.00 0.00 O ATOM 361 CB LYS A 26 3.232 14.792 -5.284 1.00 0.00 C ATOM 362 CG LYS A 26 4.177 13.765 -5.882 1.00 0.00 C ATOM 363 CD LYS A 26 5.511 14.387 -6.259 1.00 0.00 C ATOM 364 CE LYS A 26 5.446 15.063 -7.619 1.00 0.00 C ATOM 365 NZ LYS A 26 4.768 16.387 -7.549 1.00 0.00 N ATOM 0 H LYS A 26 3.863 13.347 -3.357 1.00 0.00 H new ATOM 0 HA LYS A 26 1.573 14.991 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.706 15.302 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.816 15.547 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.340 12.959 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.720 13.319 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.800 15.116 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.282 13.617 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.456 15.192 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.914 14.419 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.169 17.021 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.750 16.265 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.911 16.801 -6.606 1.00 0.00 H new ATOM 379 N TYR A 27 1.586 11.910 -4.851 1.00 0.00 N ATOM 380 CA TYR A 27 0.815 10.855 -5.499 1.00 0.00 C ATOM 381 C TYR A 27 -0.057 10.118 -4.487 1.00 0.00 C ATOM 382 O TYR A 27 -1.019 9.442 -4.855 1.00 0.00 O ATOM 383 CB TYR A 27 1.750 9.867 -6.198 1.00 0.00 C ATOM 384 CG TYR A 27 2.678 10.517 -7.200 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.212 11.482 -8.084 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.021 10.165 -7.263 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.056 12.078 -9.002 1.00 0.00 C ATOM 388 CE2 TYR A 27 4.873 10.757 -8.175 1.00 0.00 C ATOM 389 CZ TYR A 27 4.385 11.712 -9.043 1.00 0.00 C ATOM 390 OH TYR A 27 5.229 12.303 -9.955 1.00 0.00 O ATOM 0 H TYR A 27 2.329 11.574 -4.238 1.00 0.00 H new ATOM 0 HA TYR A 27 0.166 11.318 -6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.346 9.349 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.152 9.111 -6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.172 11.772 -8.053 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.405 9.415 -6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.677 12.826 -9.683 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.915 10.474 -8.208 1.00 0.00 H new ATOM 0 HH TYR A 27 6.137 12.333 -9.588 1.00 0.00 H new ATOM 400 N HIS A 28 0.286 10.254 -3.210 1.00 0.00 N ATOM 401 CA HIS A 28 -0.466 9.602 -2.143 1.00 0.00 C ATOM 402 C HIS A 28 -1.966 9.677 -2.412 1.00 0.00 C ATOM 403 O HIS A 28 -2.656 8.661 -2.503 1.00 0.00 O ATOM 404 CB HIS A 28 -0.144 10.250 -0.795 1.00 0.00 C ATOM 405 CG HIS A 28 0.974 9.579 -0.061 1.00 0.00 C ATOM 406 ND1 HIS A 28 2.050 8.895 -0.518 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 1.070 9.563 1.315 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.768 8.485 0.578 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 2.155 8.901 1.672 1.00 0.00 N flip ATOM 0 H HIS A 28 1.079 10.809 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.172 8.553 -2.113 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.115 11.296 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.038 10.235 -0.171 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.283 8.717 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.367 10.021 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.685 7.915 0.550 1.00 0.00 H new ATOM 417 N PRO A 29 -2.484 10.908 -2.540 1.00 0.00 N ATOM 418 CA PRO A 29 -3.908 11.143 -2.800 1.00 0.00 C ATOM 419 C PRO A 29 -4.320 10.717 -4.204 1.00 0.00 C ATOM 420 O PRO A 29 -5.496 10.472 -4.470 1.00 0.00 O ATOM 421 CB PRO A 29 -4.051 12.659 -2.637 1.00 0.00 C ATOM 422 CG PRO A 29 -2.694 13.201 -2.928 1.00 0.00 C ATOM 423 CD PRO A 29 -1.721 12.162 -2.442 1.00 0.00 C ATOM 0 HA PRO A 29 -4.546 10.565 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.794 13.063 -3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.374 12.920 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.568 13.385 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.536 14.152 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.822 12.134 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.401 12.359 -1.419 1.00 0.00 H new ATOM 431 N LYS A 30 -3.343 10.629 -5.102 1.00 0.00 N ATOM 432 CA LYS A 30 -3.603 10.231 -6.480 1.00 0.00 C ATOM 433 C LYS A 30 -3.916 8.741 -6.565 1.00 0.00 C ATOM 434 O LYS A 30 -4.666 8.304 -7.439 1.00 0.00 O ATOM 435 CB LYS A 30 -2.398 10.561 -7.363 1.00 0.00 C ATOM 436 CG LYS A 30 -2.273 12.038 -7.696 1.00 0.00 C ATOM 437 CD LYS A 30 -2.317 12.897 -6.443 1.00 0.00 C ATOM 438 CE LYS A 30 -2.116 14.369 -6.768 1.00 0.00 C ATOM 439 NZ LYS A 30 -2.380 15.239 -5.590 1.00 0.00 N ATOM 0 H LYS A 30 -2.364 10.828 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.470 10.788 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.489 10.233 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.472 9.993 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.337 12.214 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.080 12.330 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.275 12.762 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.544 12.568 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.095 14.528 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.778 14.654 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.365 16.236 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.313 15.010 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.647 15.080 -4.870 1.00 0.00 H new ATOM 453 N ILE A 31 -3.339 7.966 -5.653 1.00 0.00 N ATOM 454 CA ILE A 31 -3.558 6.526 -5.624 1.00 0.00 C ATOM 455 C ILE A 31 -4.903 6.188 -4.989 1.00 0.00 C ATOM 456 O ILE A 31 -5.676 5.395 -5.529 1.00 0.00 O ATOM 457 CB ILE A 31 -2.442 5.801 -4.851 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.070 6.319 -5.289 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.539 4.297 -5.066 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.006 6.190 -4.221 1.00 0.00 C ATOM 0 H ILE A 31 -2.716 8.312 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.551 6.185 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.565 6.005 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.751 5.773 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.161 7.367 -5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.743 3.798 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.506 3.940 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.438 4.074 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.940 6.576 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.303 6.760 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.113 5.141 -3.951 1.00 0.00 H new ATOM 472 N ILE A 32 -5.177 6.795 -3.838 1.00 0.00 N ATOM 473 CA ILE A 32 -6.429 6.560 -3.130 1.00 0.00 C ATOM 474 C ILE A 32 -7.601 6.473 -4.102 1.00 0.00 C ATOM 475 O ILE A 32 -8.448 5.587 -3.991 1.00 0.00 O ATOM 476 CB ILE A 32 -6.710 7.671 -2.102 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.784 7.524 -0.893 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.169 7.633 -1.666 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.719 8.763 -0.026 1.00 0.00 C ATOM 0 H ILE A 32 -4.549 7.453 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.323 5.610 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.515 8.636 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.122 6.684 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.780 7.282 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.352 8.424 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.812 7.781 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.388 6.666 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.044 8.586 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.352 9.602 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.714 8.995 0.353 1.00 0.00 H new ATOM 491 N GLY A 33 -7.644 7.400 -5.055 1.00 0.00 N ATOM 492 CA GLY A 33 -8.715 7.409 -6.034 1.00 0.00 C ATOM 493 C GLY A 33 -9.562 8.664 -5.954 1.00 0.00 C ATOM 494 O GLY A 33 -9.515 9.391 -4.962 1.00 0.00 O ATOM 0 H GLY A 33 -6.956 8.145 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.290 7.324 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.349 6.536 -5.882 1.00 0.00 H new ATOM 498 N ARG A 34 -10.337 8.920 -7.004 1.00 0.00 N ATOM 499 CA ARG A 34 -11.194 10.098 -7.049 1.00 0.00 C ATOM 500 C ARG A 34 -12.293 10.012 -5.994 1.00 0.00 C ATOM 501 O ARG A 34 -12.504 10.949 -5.223 1.00 0.00 O ATOM 502 CB ARG A 34 -11.818 10.246 -8.438 1.00 0.00 C ATOM 503 CG ARG A 34 -12.656 9.051 -8.862 1.00 0.00 C ATOM 504 CD ARG A 34 -13.152 9.196 -10.292 1.00 0.00 C ATOM 505 NE ARG A 34 -12.102 8.916 -11.267 1.00 0.00 N ATOM 506 CZ ARG A 34 -11.668 7.693 -11.547 1.00 0.00 C ATOM 507 NH1 ARG A 34 -12.190 6.642 -10.929 1.00 0.00 N ATOM 508 NH2 ARG A 34 -10.709 7.517 -12.448 1.00 0.00 N ATOM 0 H ARG A 34 -10.388 8.328 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.579 10.973 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.442 11.140 -8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.024 10.399 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.064 8.140 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.507 8.946 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.989 8.517 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.528 10.208 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.679 9.703 -11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.927 6.772 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.854 5.704 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.305 8.322 -12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.377 6.577 -12.662 1.00 0.00 H new ATOM 522 N LYS A 35 -12.991 8.882 -5.964 1.00 0.00 N ATOM 523 CA LYS A 35 -14.067 8.672 -5.004 1.00 0.00 C ATOM 524 C LYS A 35 -13.645 7.685 -3.921 1.00 0.00 C ATOM 525 O LYS A 35 -14.351 7.493 -2.932 1.00 0.00 O ATOM 526 CB LYS A 35 -15.321 8.157 -5.716 1.00 0.00 C ATOM 527 CG LYS A 35 -15.110 6.842 -6.447 1.00 0.00 C ATOM 528 CD LYS A 35 -16.016 6.727 -7.660 1.00 0.00 C ATOM 529 CE LYS A 35 -17.440 6.370 -7.261 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.326 6.214 -8.448 1.00 0.00 N ATOM 0 H LYS A 35 -12.830 8.097 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.291 9.629 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.119 8.032 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.658 8.909 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.069 6.762 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.303 6.012 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.016 7.670 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.625 5.967 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.435 5.443 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.840 7.146 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.287 5.971 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.351 7.106 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.959 5.456 -9.058 1.00 0.00 H new ATOM 544 N GLY A 36 -12.486 7.063 -4.113 1.00 0.00 N ATOM 545 CA GLY A 36 -11.989 6.105 -3.142 1.00 0.00 C ATOM 546 C GLY A 36 -12.231 4.670 -3.567 1.00 0.00 C ATOM 547 O GLY A 36 -11.893 3.735 -2.842 1.00 0.00 O ATOM 0 H GLY A 36 -11.882 7.205 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.920 6.262 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.472 6.282 -2.181 1.00 0.00 H new ATOM 551 N ALA A 37 -12.820 4.495 -4.746 1.00 0.00 N ATOM 552 CA ALA A 37 -13.107 3.164 -5.266 1.00 0.00 C ATOM 553 C ALA A 37 -11.855 2.524 -5.858 1.00 0.00 C ATOM 554 O ALA A 37 -11.795 1.309 -6.041 1.00 0.00 O ATOM 555 CB ALA A 37 -14.211 3.233 -6.311 1.00 0.00 C ATOM 0 H ALA A 37 -13.107 5.258 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.444 2.542 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.415 2.232 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.115 3.641 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.895 3.875 -7.133 1.00 0.00 H new ATOM 561 N VAL A 38 -10.858 3.351 -6.155 1.00 0.00 N ATOM 562 CA VAL A 38 -9.607 2.866 -6.726 1.00 0.00 C ATOM 563 C VAL A 38 -8.849 1.997 -5.729 1.00 0.00 C ATOM 564 O VAL A 38 -8.665 0.800 -5.948 1.00 0.00 O ATOM 565 CB VAL A 38 -8.702 4.032 -7.167 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.393 3.506 -7.736 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.420 4.909 -8.182 1.00 0.00 C ATOM 0 H VAL A 38 -10.892 4.360 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.868 2.268 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.472 4.641 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.767 4.344 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.873 2.924 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.600 2.873 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.766 5.728 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.682 4.314 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.327 5.315 -7.735 1.00 0.00 H new ATOM 577 N ILE A 39 -8.410 2.609 -4.634 1.00 0.00 N ATOM 578 CA ILE A 39 -7.673 1.890 -3.602 1.00 0.00 C ATOM 579 C ILE A 39 -8.515 0.769 -3.004 1.00 0.00 C ATOM 580 O ILE A 39 -7.985 -0.240 -2.537 1.00 0.00 O ATOM 581 CB ILE A 39 -7.219 2.835 -2.473 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.236 2.119 -1.544 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.422 3.342 -1.691 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.790 2.269 -1.963 1.00 0.00 C ATOM 0 H ILE A 39 -8.552 3.600 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.793 1.462 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.712 3.691 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.355 2.508 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.488 1.059 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.085 4.008 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.089 3.884 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.954 2.497 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.150 1.736 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.656 1.854 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.521 3.325 -1.970 1.00 0.00 H new ATOM 596 N THR A 40 -9.831 0.950 -3.023 1.00 0.00 N ATOM 597 CA THR A 40 -10.749 -0.046 -2.484 1.00 0.00 C ATOM 598 C THR A 40 -10.652 -1.357 -3.256 1.00 0.00 C ATOM 599 O THR A 40 -10.836 -2.435 -2.690 1.00 0.00 O ATOM 600 CB THR A 40 -12.206 0.453 -2.522 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.361 1.578 -1.650 1.00 0.00 O ATOM 602 CG2 THR A 40 -13.166 -0.652 -2.109 1.00 0.00 C ATOM 0 H THR A 40 -10.286 1.778 -3.406 1.00 0.00 H new ATOM 0 HA THR A 40 -10.458 -0.215 -1.447 1.00 0.00 H new ATOM 0 HB THR A 40 -12.439 0.752 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.312 2.406 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.189 -0.277 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.066 -1.495 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.932 -0.977 -1.095 1.00 0.00 H new ATOM 610 N GLN A 41 -10.362 -1.257 -4.549 1.00 0.00 N ATOM 611 CA GLN A 41 -10.241 -2.437 -5.397 1.00 0.00 C ATOM 612 C GLN A 41 -8.995 -3.240 -5.039 1.00 0.00 C ATOM 613 O GLN A 41 -9.051 -4.462 -4.898 1.00 0.00 O ATOM 614 CB GLN A 41 -10.193 -2.029 -6.870 1.00 0.00 C ATOM 615 CG GLN A 41 -9.985 -3.199 -7.819 1.00 0.00 C ATOM 616 CD GLN A 41 -8.521 -3.549 -8.001 1.00 0.00 C ATOM 617 OE1 GLN A 41 -8.073 -4.594 -7.314 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 -7.801 -2.888 -8.750 1.00 0.00 N flip ATOM 0 H GLN A 41 -10.207 -0.372 -5.032 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.116 -3.065 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.123 -1.523 -7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.388 -1.308 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.518 -4.070 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.420 -2.957 -8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.188 -2.093 -9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.818 -3.136 -8.862 1.00 0.00 H new ATOM 627 N ILE A 42 -7.871 -2.545 -4.893 1.00 0.00 N ATOM 628 CA ILE A 42 -6.612 -3.195 -4.550 1.00 0.00 C ATOM 629 C ILE A 42 -6.657 -3.771 -3.140 1.00 0.00 C ATOM 630 O ILE A 42 -6.272 -4.919 -2.914 1.00 0.00 O ATOM 631 CB ILE A 42 -5.428 -2.216 -4.655 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.425 -1.530 -6.023 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.114 -2.946 -4.421 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.790 -0.156 -6.009 1.00 0.00 C ATOM 0 H ILE A 42 -7.807 -1.533 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.469 -4.005 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.539 -1.452 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.892 -2.160 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.451 -1.443 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.287 -2.240 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.118 -3.393 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.994 -3.729 -5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.823 0.270 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.336 0.490 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.753 -0.238 -5.683 1.00 0.00 H new ATOM 646 N ARG A 43 -7.130 -2.967 -2.192 1.00 0.00 N ATOM 647 CA ARG A 43 -7.225 -3.398 -0.803 1.00 0.00 C ATOM 648 C ARG A 43 -7.891 -4.768 -0.703 1.00 0.00 C ATOM 649 O ARG A 43 -7.528 -5.585 0.144 1.00 0.00 O ATOM 650 CB ARG A 43 -8.015 -2.375 0.017 1.00 0.00 C ATOM 651 CG ARG A 43 -7.263 -1.076 0.256 1.00 0.00 C ATOM 652 CD ARG A 43 -8.185 0.014 0.775 1.00 0.00 C ATOM 653 NE ARG A 43 -7.443 1.166 1.280 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.018 2.218 1.853 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.335 2.263 1.993 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.274 3.228 2.288 1.00 0.00 N ATOM 0 H ARG A 43 -7.453 -2.014 -2.361 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.214 -3.474 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.951 -2.154 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.276 -2.816 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.460 -1.246 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.797 -0.748 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.852 0.335 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.812 -0.390 1.570 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.427 1.163 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.910 1.489 1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.774 3.072 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.260 3.197 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.716 4.035 2.728 1.00 0.00 H new ATOM 670 N LEU A 44 -8.867 -5.011 -1.572 1.00 0.00 N ATOM 671 CA LEU A 44 -9.583 -6.282 -1.580 1.00 0.00 C ATOM 672 C LEU A 44 -8.801 -7.343 -2.349 1.00 0.00 C ATOM 673 O LEU A 44 -8.645 -8.470 -1.884 1.00 0.00 O ATOM 674 CB LEU A 44 -10.969 -6.103 -2.203 1.00 0.00 C ATOM 675 CG LEU A 44 -12.022 -5.437 -1.317 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.092 -4.771 -2.168 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.644 -6.454 -0.372 1.00 0.00 C ATOM 0 H LEU A 44 -9.180 -4.346 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.694 -6.616 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.863 -5.513 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.341 -7.083 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.533 -4.668 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.833 -4.302 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.633 -4.013 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.578 -5.520 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.391 -5.962 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.119 -7.246 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.868 -6.883 0.262 1.00 0.00 H new ATOM 689 N GLU A 45 -8.309 -6.970 -3.527 1.00 0.00 N ATOM 690 CA GLU A 45 -7.542 -7.890 -4.358 1.00 0.00 C ATOM 691 C GLU A 45 -6.589 -8.727 -3.508 1.00 0.00 C ATOM 692 O GLU A 45 -6.650 -9.956 -3.514 1.00 0.00 O ATOM 693 CB GLU A 45 -6.752 -7.118 -5.418 1.00 0.00 C ATOM 694 CG GLU A 45 -5.857 -7.999 -6.273 1.00 0.00 C ATOM 695 CD GLU A 45 -6.644 -8.907 -7.199 1.00 0.00 C ATOM 696 OE1 GLU A 45 -7.790 -8.550 -7.548 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.115 -9.973 -7.573 1.00 0.00 O ATOM 0 H GLU A 45 -8.428 -6.039 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.243 -8.561 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.451 -6.588 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.140 -6.363 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.193 -7.369 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.226 -8.607 -5.625 1.00 0.00 H new ATOM 704 N HIS A 46 -5.707 -8.050 -2.779 1.00 0.00 N ATOM 705 CA HIS A 46 -4.741 -8.729 -1.922 1.00 0.00 C ATOM 706 C HIS A 46 -5.311 -8.943 -0.524 1.00 0.00 C ATOM 707 O HIS A 46 -4.737 -9.671 0.287 1.00 0.00 O ATOM 708 CB HIS A 46 -3.445 -7.924 -1.841 1.00 0.00 C ATOM 709 CG HIS A 46 -3.051 -7.289 -3.139 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.357 -7.959 -4.124 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.260 -6.039 -3.613 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.154 -7.147 -5.147 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.693 -5.976 -4.861 1.00 0.00 N ATOM 0 H HIS A 46 -5.641 -7.032 -2.765 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.526 -9.704 -2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.557 -7.147 -1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.640 -8.579 -1.508 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -2.048 -8.930 -4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.777 -5.239 -3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.636 -7.398 -6.061 1.00 0.00 H new ATOM 721 N ASP A 47 -6.441 -8.302 -0.246 1.00 0.00 N ATOM 722 CA ASP A 47 -7.088 -8.423 1.056 1.00 0.00 C ATOM 723 C ASP A 47 -6.211 -7.833 2.155 1.00 0.00 C ATOM 724 O ASP A 47 -6.092 -8.401 3.241 1.00 0.00 O ATOM 725 CB ASP A 47 -7.395 -9.890 1.363 1.00 0.00 C ATOM 726 CG ASP A 47 -8.569 -10.049 2.309 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.719 -9.844 1.868 1.00 0.00 O ATOM 728 OD2 ASP A 47 -8.338 -10.377 3.492 1.00 0.00 O ATOM 0 H ASP A 47 -6.928 -7.694 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.023 -7.864 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.608 -10.416 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.514 -10.359 1.800 1.00 0.00 H new ATOM 733 N VAL A 48 -5.596 -6.691 1.866 1.00 0.00 N ATOM 734 CA VAL A 48 -4.729 -6.023 2.829 1.00 0.00 C ATOM 735 C VAL A 48 -5.268 -4.643 3.191 1.00 0.00 C ATOM 736 O VAL A 48 -6.240 -4.172 2.600 1.00 0.00 O ATOM 737 CB VAL A 48 -3.295 -5.875 2.287 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.723 -7.235 1.915 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.272 -4.934 1.092 1.00 0.00 C ATOM 0 H VAL A 48 -5.682 -6.209 0.971 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.709 -6.648 3.722 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.671 -5.446 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.709 -7.111 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.704 -7.875 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.346 -7.694 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.251 -4.841 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.909 -5.333 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.639 -3.953 1.394 1.00 0.00 H new ATOM 749 N ASN A 49 -4.630 -4.001 4.163 1.00 0.00 N ATOM 750 CA ASN A 49 -5.046 -2.674 4.603 1.00 0.00 C ATOM 751 C ASN A 49 -4.025 -1.619 4.190 1.00 0.00 C ATOM 752 O ASN A 49 -2.855 -1.690 4.571 1.00 0.00 O ATOM 753 CB ASN A 49 -5.232 -2.653 6.122 1.00 0.00 C ATOM 754 CG ASN A 49 -5.884 -1.372 6.607 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.876 -0.913 6.041 1.00 0.00 O ATOM 756 ND2 ASN A 49 -5.326 -0.788 7.661 1.00 0.00 N ATOM 0 H ASN A 49 -3.823 -4.377 4.661 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.997 -2.441 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.843 -3.505 6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.262 -2.770 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.719 0.077 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.504 -1.204 8.099 1.00 0.00 H new ATOM 763 N ILE A 50 -4.474 -0.642 3.411 1.00 0.00 N ATOM 764 CA ILE A 50 -3.600 0.429 2.947 1.00 0.00 C ATOM 765 C ILE A 50 -4.016 1.772 3.537 1.00 0.00 C ATOM 766 O ILE A 50 -5.129 2.244 3.304 1.00 0.00 O ATOM 767 CB ILE A 50 -3.602 0.532 1.410 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.019 -0.740 0.792 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.817 1.755 0.961 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.475 -0.984 -0.630 1.00 0.00 C ATOM 0 H ILE A 50 -5.439 -0.569 3.087 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.593 0.183 3.284 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.631 0.640 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.931 -0.678 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.300 -1.595 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.827 1.815 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.273 2.653 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.788 1.675 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.023 -1.902 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.561 -1.079 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.170 -0.147 -1.258 1.00 0.00 H new ATOM 782 N GLN A 51 -3.115 2.383 4.298 1.00 0.00 N ATOM 783 CA GLN A 51 -3.388 3.673 4.920 1.00 0.00 C ATOM 784 C GLN A 51 -2.274 4.671 4.619 1.00 0.00 C ATOM 785 O GLN A 51 -1.095 4.318 4.623 1.00 0.00 O ATOM 786 CB GLN A 51 -3.549 3.511 6.432 1.00 0.00 C ATOM 787 CG GLN A 51 -4.040 4.769 7.130 1.00 0.00 C ATOM 788 CD GLN A 51 -5.553 4.844 7.200 1.00 0.00 C ATOM 789 OE1 GLN A 51 -6.255 4.157 6.459 1.00 0.00 O ATOM 790 NE2 GLN A 51 -6.063 5.681 8.096 1.00 0.00 N ATOM 0 H GLN A 51 -2.189 2.006 4.499 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.318 4.058 4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.249 2.699 6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.591 3.217 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.631 4.803 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.660 5.644 6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.443 6.232 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.074 5.773 8.190 1.00 0.00 H new ATOM 799 N PHE A 52 -2.656 5.916 4.356 1.00 0.00 N ATOM 800 CA PHE A 52 -1.689 6.964 4.051 1.00 0.00 C ATOM 801 C PHE A 52 -1.538 7.924 5.228 1.00 0.00 C ATOM 802 O PHE A 52 -2.466 8.141 6.007 1.00 0.00 O ATOM 803 CB PHE A 52 -2.116 7.734 2.800 1.00 0.00 C ATOM 804 CG PHE A 52 -2.311 6.860 1.595 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.521 6.225 1.371 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.281 6.673 0.685 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.701 5.419 0.263 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.457 5.868 -0.425 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.669 5.242 -0.636 1.00 0.00 C ATOM 0 H PHE A 52 -3.628 6.224 4.348 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.725 6.491 3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.046 8.264 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.363 8.489 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.333 6.361 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.331 7.162 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.649 4.928 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.647 5.729 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.810 4.614 -1.504 1.00 0.00 H new ATOM 819 N PRO A 53 -0.341 8.514 5.360 1.00 0.00 N ATOM 820 CA PRO A 53 -0.040 9.460 6.439 1.00 0.00 C ATOM 821 C PRO A 53 -0.781 10.782 6.272 1.00 0.00 C ATOM 822 O PRO A 53 -1.293 11.087 5.195 1.00 0.00 O ATOM 823 CB PRO A 53 1.471 9.675 6.311 1.00 0.00 C ATOM 824 CG PRO A 53 1.776 9.378 4.883 1.00 0.00 C ATOM 825 CD PRO A 53 0.812 8.301 4.469 1.00 0.00 C ATOM 0 HA PRO A 53 -0.349 9.080 7.413 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.749 10.696 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.023 9.014 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.656 10.268 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.807 9.045 4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.532 8.394 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.241 7.307 4.597 1.00 0.00 H new ATOM 833 N ASP A 54 -0.835 11.564 7.346 1.00 0.00 N ATOM 834 CA ASP A 54 -1.513 12.855 7.319 1.00 0.00 C ATOM 835 C ASP A 54 -0.510 13.997 7.447 1.00 0.00 C ATOM 836 O ASP A 54 0.328 14.004 8.348 1.00 0.00 O ATOM 837 CB ASP A 54 -2.545 12.936 8.444 1.00 0.00 C ATOM 838 CG ASP A 54 -3.657 13.920 8.139 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.966 14.118 6.945 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.219 14.495 9.096 1.00 0.00 O ATOM 0 H ASP A 54 -0.417 11.326 8.246 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.024 12.950 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.974 11.948 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.048 13.229 9.369 1.00 0.00 H new ATOM 845 N LYS A 55 -0.602 14.963 6.539 1.00 0.00 N ATOM 846 CA LYS A 55 0.295 16.113 6.549 1.00 0.00 C ATOM 847 C LYS A 55 0.177 16.883 7.860 1.00 0.00 C ATOM 848 O LYS A 55 1.177 17.342 8.413 1.00 0.00 O ATOM 849 CB LYS A 55 -0.015 17.038 5.370 1.00 0.00 C ATOM 850 CG LYS A 55 -1.434 17.580 5.380 1.00 0.00 C ATOM 851 CD LYS A 55 -1.721 18.415 4.143 1.00 0.00 C ATOM 852 CE LYS A 55 -2.808 19.444 4.405 1.00 0.00 C ATOM 853 NZ LYS A 55 -3.484 19.869 3.148 1.00 0.00 N ATOM 0 H LYS A 55 -1.290 14.972 5.786 1.00 0.00 H new ATOM 0 HA LYS A 55 1.317 15.746 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.685 17.874 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.151 16.495 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.140 16.752 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.587 18.186 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.809 18.920 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.026 17.762 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.545 19.027 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.373 20.315 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.219 20.571 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.785 20.290 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.921 19.043 2.692 1.00 0.00 H new ATOM 867 N ASP A 56 -1.048 17.019 8.352 1.00 0.00 N ATOM 868 CA ASP A 56 -1.297 17.732 9.600 1.00 0.00 C ATOM 869 C ASP A 56 -0.410 17.195 10.719 1.00 0.00 C ATOM 870 O ASP A 56 0.161 17.961 11.495 1.00 0.00 O ATOM 871 CB ASP A 56 -2.769 17.612 9.997 1.00 0.00 C ATOM 872 CG ASP A 56 -3.177 18.644 11.031 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.019 18.367 12.238 1.00 0.00 O ATOM 874 OD2 ASP A 56 -3.652 19.728 10.632 1.00 0.00 O ATOM 0 H ASP A 56 -1.886 16.645 7.906 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.056 18.783 9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.392 17.725 9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.955 16.613 10.392 1.00 0.00 H new ATOM 879 N ASP A 57 -0.299 15.873 10.796 1.00 0.00 N ATOM 880 CA ASP A 57 0.518 15.232 11.819 1.00 0.00 C ATOM 881 C ASP A 57 1.931 15.807 11.825 1.00 0.00 C ATOM 882 O ASP A 57 2.343 16.459 12.783 1.00 0.00 O ATOM 883 CB ASP A 57 0.569 13.721 11.589 1.00 0.00 C ATOM 884 CG ASP A 57 0.764 12.945 12.878 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.929 12.731 13.271 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.251 12.554 13.492 1.00 0.00 O ATOM 0 H ASP A 57 -0.765 15.224 10.161 1.00 0.00 H new ATOM 0 HA ASP A 57 0.062 15.428 12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.355 13.398 11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.382 13.488 10.902 1.00 0.00 H new ATOM 891 N GLY A 58 2.669 15.559 10.747 1.00 0.00 N ATOM 892 CA GLY A 58 4.029 16.058 10.649 1.00 0.00 C ATOM 893 C GLY A 58 5.053 15.048 11.128 1.00 0.00 C ATOM 894 O GLY A 58 5.759 14.440 10.325 1.00 0.00 O ATOM 0 H GLY A 58 2.350 15.022 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.242 16.323 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.121 16.971 11.237 1.00 0.00 H new ATOM 898 N ASN A 59 5.135 14.871 12.443 1.00 0.00 N ATOM 899 CA ASN A 59 6.083 13.930 13.030 1.00 0.00 C ATOM 900 C ASN A 59 6.160 12.650 12.203 1.00 0.00 C ATOM 901 O ASN A 59 7.209 12.011 12.128 1.00 0.00 O ATOM 902 CB ASN A 59 5.679 13.598 14.468 1.00 0.00 C ATOM 903 CG ASN A 59 6.243 14.587 15.469 1.00 0.00 C ATOM 904 OD1 ASN A 59 6.948 14.206 16.405 1.00 0.00 O ATOM 905 ND2 ASN A 59 5.935 15.864 15.278 1.00 0.00 N ATOM 0 H ASN A 59 4.557 15.366 13.122 1.00 0.00 H new ATOM 0 HA ASN A 59 7.067 14.398 13.035 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.592 13.588 14.544 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.025 12.595 14.718 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.286 16.575 15.920 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.348 16.134 14.489 1.00 0.00 H new ATOM 912 N GLN A 60 5.042 12.283 11.584 1.00 0.00 N ATOM 913 CA GLN A 60 4.985 11.079 10.764 1.00 0.00 C ATOM 914 C GLN A 60 5.352 11.390 9.317 1.00 0.00 C ATOM 915 O GLN A 60 5.143 12.498 8.820 1.00 0.00 O ATOM 916 CB GLN A 60 3.587 10.461 10.826 1.00 0.00 C ATOM 917 CG GLN A 60 3.132 10.126 12.237 1.00 0.00 C ATOM 918 CD GLN A 60 1.671 9.729 12.300 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.809 10.543 11.700 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.319 8.704 12.883 1.00 0.00 N flip ATOM 0 H GLN A 60 4.165 12.801 11.635 1.00 0.00 H new ATOM 0 HA GLN A 60 5.708 10.365 11.159 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.873 11.152 10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.573 9.553 10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.743 9.312 12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.298 10.988 12.883 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.015 8.107 13.330 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.331 8.451 12.919 1.00 0.00 H new ATOM 929 N PRO A 61 5.913 10.390 8.621 1.00 0.00 N ATOM 930 CA PRO A 61 6.323 10.532 7.219 1.00 0.00 C ATOM 931 C PRO A 61 5.129 10.649 6.277 1.00 0.00 C ATOM 932 O PRO A 61 4.216 9.826 6.313 1.00 0.00 O ATOM 933 CB PRO A 61 7.097 9.241 6.943 1.00 0.00 C ATOM 934 CG PRO A 61 6.551 8.255 7.918 1.00 0.00 C ATOM 935 CD PRO A 61 6.192 9.044 9.147 1.00 0.00 C ATOM 0 HA PRO A 61 6.906 11.438 7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.952 8.904 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.168 9.384 7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.677 7.747 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.288 7.486 8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.324 8.623 9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.009 9.056 9.869 1.00 0.00 H new ATOM 943 N GLN A 62 5.145 11.677 5.434 1.00 0.00 N ATOM 944 CA GLN A 62 4.064 11.901 4.483 1.00 0.00 C ATOM 945 C GLN A 62 4.337 11.177 3.167 1.00 0.00 C ATOM 946 O GLN A 62 3.437 10.999 2.347 1.00 0.00 O ATOM 947 CB GLN A 62 3.884 13.398 4.226 1.00 0.00 C ATOM 948 CG GLN A 62 3.760 14.222 5.498 1.00 0.00 C ATOM 949 CD GLN A 62 2.847 13.581 6.523 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.830 12.978 6.175 1.00 0.00 O ATOM 951 NE2 GLN A 62 3.203 13.707 7.796 1.00 0.00 N ATOM 0 H GLN A 62 5.895 12.367 5.391 1.00 0.00 H new ATOM 0 HA GLN A 62 3.147 11.500 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.732 13.764 3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.993 13.549 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.749 14.360 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.380 15.213 5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.053 14.215 8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.626 13.296 8.530 1.00 0.00 H new ATOM 960 N ASP A 63 5.585 10.764 2.974 1.00 0.00 N ATOM 961 CA ASP A 63 5.977 10.059 1.759 1.00 0.00 C ATOM 962 C ASP A 63 5.919 8.549 1.965 1.00 0.00 C ATOM 963 O ASP A 63 5.949 7.782 1.003 1.00 0.00 O ATOM 964 CB ASP A 63 7.387 10.475 1.336 1.00 0.00 C ATOM 965 CG ASP A 63 8.464 9.724 2.096 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.743 8.562 1.735 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.027 10.300 3.051 1.00 0.00 O ATOM 0 H ASP A 63 6.342 10.905 3.643 1.00 0.00 H new ATOM 0 HA ASP A 63 5.275 10.327 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.510 10.298 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.511 11.546 1.498 1.00 0.00 H new ATOM 972 N GLN A 64 5.834 8.130 3.223 1.00 0.00 N ATOM 973 CA GLN A 64 5.773 6.711 3.553 1.00 0.00 C ATOM 974 C GLN A 64 4.327 6.231 3.627 1.00 0.00 C ATOM 975 O GLN A 64 3.465 6.913 4.181 1.00 0.00 O ATOM 976 CB GLN A 64 6.480 6.445 4.883 1.00 0.00 C ATOM 977 CG GLN A 64 7.972 6.734 4.850 1.00 0.00 C ATOM 978 CD GLN A 64 8.792 5.526 4.440 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.720 5.167 3.164 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.481 4.922 5.262 1.00 0.00 N flip ATOM 0 H GLN A 64 5.806 8.753 4.030 1.00 0.00 H new ATOM 0 HA GLN A 64 6.280 6.157 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.018 7.056 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.327 5.403 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.164 7.552 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.295 7.070 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.507 5.233 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.026 4.110 4.972 1.00 0.00 H new ATOM 989 N ILE A 65 4.071 5.056 3.064 1.00 0.00 N ATOM 990 CA ILE A 65 2.730 4.485 3.066 1.00 0.00 C ATOM 991 C ILE A 65 2.673 3.217 3.912 1.00 0.00 C ATOM 992 O ILE A 65 3.389 2.250 3.650 1.00 0.00 O ATOM 993 CB ILE A 65 2.254 4.157 1.638 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.499 5.349 0.710 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.781 3.777 1.644 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.325 5.019 -0.755 1.00 0.00 C ATOM 0 H ILE A 65 4.774 4.480 2.601 1.00 0.00 H new ATOM 0 HA ILE A 65 2.069 5.237 3.497 1.00 0.00 H new ATOM 0 HB ILE A 65 2.826 3.307 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.814 6.154 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.510 5.724 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.460 3.548 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.634 2.902 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.192 4.608 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.514 5.910 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.029 4.236 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.307 4.673 -0.931 1.00 0.00 H new ATOM 1008 N THR A 66 1.814 3.227 4.927 1.00 0.00 N ATOM 1009 CA THR A 66 1.663 2.079 5.812 1.00 0.00 C ATOM 1010 C THR A 66 0.725 1.039 5.208 1.00 0.00 C ATOM 1011 O THR A 66 -0.323 1.381 4.660 1.00 0.00 O ATOM 1012 CB THR A 66 1.125 2.499 7.192 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.572 3.822 7.510 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.583 1.530 8.270 1.00 0.00 C ATOM 0 H THR A 66 1.212 4.018 5.156 1.00 0.00 H new ATOM 0 HA THR A 66 2.654 1.643 5.935 1.00 0.00 H new ATOM 0 HB THR A 66 0.036 2.484 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.224 4.083 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.190 1.848 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.215 0.530 8.040 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.672 1.516 8.308 1.00 0.00 H new ATOM 1022 N ILE A 67 1.108 -0.228 5.312 1.00 0.00 N ATOM 1023 CA ILE A 67 0.300 -1.316 4.777 1.00 0.00 C ATOM 1024 C ILE A 67 0.341 -2.534 5.695 1.00 0.00 C ATOM 1025 O ILE A 67 1.398 -3.125 5.915 1.00 0.00 O ATOM 1026 CB ILE A 67 0.773 -1.732 3.371 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.813 -0.515 2.444 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.139 -2.808 2.803 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.381 -0.819 1.075 1.00 0.00 C ATOM 0 H ILE A 67 1.973 -0.527 5.762 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.723 -0.946 4.712 1.00 0.00 H new ATOM 0 HB ILE A 67 1.780 -2.141 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.197 -0.121 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.410 0.268 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.208 -3.092 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.123 -3.681 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.157 -2.424 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.379 0.088 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.403 -1.185 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.771 -1.580 0.589 1.00 0.00 H new ATOM 1041 N THR A 68 -0.820 -2.905 6.229 1.00 0.00 N ATOM 1042 CA THR A 68 -0.917 -4.052 7.122 1.00 0.00 C ATOM 1043 C THR A 68 -1.452 -5.276 6.388 1.00 0.00 C ATOM 1044 O THR A 68 -2.249 -5.156 5.460 1.00 0.00 O ATOM 1045 CB THR A 68 -1.830 -3.750 8.326 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.579 -2.426 8.811 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.603 -4.758 9.443 1.00 0.00 C ATOM 0 H THR A 68 -1.705 -2.427 6.058 1.00 0.00 H new ATOM 0 HA THR A 68 0.091 -4.259 7.482 1.00 0.00 H new ATOM 0 HB THR A 68 -2.866 -3.825 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.164 -2.241 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.258 -4.525 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.824 -5.761 9.078 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.564 -4.711 9.770 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.007 -6.456 6.812 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.453 -7.686 6.184 1.00 0.00 C ATOM 1057 C GLY A 69 -0.330 -8.688 6.010 1.00 0.00 C ATOM 1058 O GLY A 69 0.832 -8.382 6.282 1.00 0.00 O ATOM 0 H GLY A 69 -0.346 -6.581 7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.244 -8.132 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.886 -7.457 5.210 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.674 -9.888 5.558 1.00 0.00 N ATOM 1063 CA TYR A 70 0.315 -10.940 5.353 1.00 0.00 C ATOM 1064 C TYR A 70 1.539 -10.402 4.619 1.00 0.00 C ATOM 1065 O TYR A 70 1.427 -9.850 3.525 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.299 -12.098 4.563 1.00 0.00 C ATOM 1067 CG TYR A 70 -0.996 -13.122 5.431 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.189 -12.818 6.076 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.461 -14.392 5.609 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.828 -13.749 6.871 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -1.095 -15.330 6.400 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.277 -15.004 7.030 1.00 0.00 C ATOM 1073 OH TYR A 70 -2.911 -15.935 7.820 1.00 0.00 O ATOM 0 H TYR A 70 -1.630 -10.157 5.326 1.00 0.00 H new ATOM 0 HA TYR A 70 0.631 -11.302 6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.013 -11.697 3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.486 -12.593 3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.624 -11.837 5.953 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.467 -14.650 5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.754 -13.496 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.667 -16.314 6.524 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.393 -16.767 7.825 1.00 0.00 H new ATOM 1083 N GLU A 71 2.707 -10.569 5.230 1.00 0.00 N ATOM 1084 CA GLU A 71 3.954 -10.100 4.636 1.00 0.00 C ATOM 1085 C GLU A 71 3.941 -10.294 3.122 1.00 0.00 C ATOM 1086 O GLU A 71 4.572 -9.539 2.382 1.00 0.00 O ATOM 1087 CB GLU A 71 5.146 -10.840 5.246 1.00 0.00 C ATOM 1088 CG GLU A 71 6.424 -10.707 4.435 1.00 0.00 C ATOM 1089 CD GLU A 71 7.558 -11.545 4.992 1.00 0.00 C ATOM 1090 OE1 GLU A 71 8.175 -11.122 5.992 1.00 0.00 O ATOM 1091 OE2 GLU A 71 7.829 -12.626 4.427 1.00 0.00 O ATOM 0 H GLU A 71 2.816 -11.025 6.136 1.00 0.00 H new ATOM 0 HA GLU A 71 4.050 -9.035 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.323 -10.460 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.896 -11.896 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.229 -11.005 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.728 -9.660 4.412 1.00 0.00 H new ATOM 1098 N LYS A 72 3.219 -11.313 2.668 1.00 0.00 N ATOM 1099 CA LYS A 72 3.122 -11.609 1.244 1.00 0.00 C ATOM 1100 C LYS A 72 2.030 -10.771 0.587 1.00 0.00 C ATOM 1101 O LYS A 72 2.297 -9.986 -0.321 1.00 0.00 O ATOM 1102 CB LYS A 72 2.837 -13.097 1.029 1.00 0.00 C ATOM 1103 CG LYS A 72 4.042 -13.989 1.276 1.00 0.00 C ATOM 1104 CD LYS A 72 4.951 -14.046 0.059 1.00 0.00 C ATOM 1105 CE LYS A 72 6.298 -14.666 0.399 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.203 -16.141 0.572 1.00 0.00 N ATOM 0 H LYS A 72 2.692 -11.948 3.267 1.00 0.00 H new ATOM 0 HA LYS A 72 4.076 -11.358 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.027 -13.403 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.487 -13.248 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.603 -13.616 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.706 -14.995 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.470 -14.626 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.101 -13.040 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.012 -14.439 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.683 -14.217 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.142 -16.525 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.541 -16.358 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.860 -16.573 -0.310 1.00 0.00 H new ATOM 1120 N ASN A 73 0.797 -10.943 1.055 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.337 -10.201 0.514 1.00 0.00 C ATOM 1122 C ASN A 73 -0.024 -8.710 0.438 1.00 0.00 C ATOM 1123 O ASN A 73 -0.549 -7.997 -0.419 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.579 -10.430 1.375 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.037 -11.876 1.357 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.240 -12.789 1.139 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.328 -12.091 1.585 1.00 0.00 N ATOM 0 H ASN A 73 0.558 -11.589 1.807 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.531 -10.565 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.366 -10.132 2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.387 -9.791 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.694 -13.043 1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.953 -11.304 1.761 1.00 0.00 H new ATOM 1134 N THR A 74 0.834 -8.244 1.339 1.00 0.00 N ATOM 1135 CA THR A 74 1.217 -6.837 1.375 1.00 0.00 C ATOM 1136 C THR A 74 1.985 -6.444 0.119 1.00 0.00 C ATOM 1137 O THR A 74 1.534 -5.601 -0.656 1.00 0.00 O ATOM 1138 CB THR A 74 2.080 -6.521 2.610 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.247 -7.352 2.619 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.290 -6.736 3.893 1.00 0.00 C ATOM 0 H THR A 74 1.278 -8.820 2.054 1.00 0.00 H new ATOM 0 HA THR A 74 0.294 -6.260 1.429 1.00 0.00 H new ATOM 0 HB THR A 74 2.379 -5.474 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.926 -6.956 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.921 -6.506 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.418 -6.081 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.964 -7.775 3.950 1.00 0.00 H new ATOM 1148 N GLU A 75 3.146 -7.060 -0.078 1.00 0.00 N ATOM 1149 CA GLU A 75 3.976 -6.773 -1.241 1.00 0.00 C ATOM 1150 C GLU A 75 3.124 -6.657 -2.501 1.00 0.00 C ATOM 1151 O GLU A 75 3.227 -5.682 -3.245 1.00 0.00 O ATOM 1152 CB GLU A 75 5.032 -7.866 -1.424 1.00 0.00 C ATOM 1153 CG GLU A 75 5.864 -8.123 -0.180 1.00 0.00 C ATOM 1154 CD GLU A 75 7.235 -8.685 -0.502 1.00 0.00 C ATOM 1155 OE1 GLU A 75 8.094 -7.915 -0.982 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.451 -9.894 -0.273 1.00 0.00 O ATOM 0 H GLU A 75 3.533 -7.761 0.553 1.00 0.00 H new ATOM 0 HA GLU A 75 4.476 -5.819 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.537 -8.792 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.695 -7.585 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.978 -7.192 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.334 -8.819 0.470 1.00 0.00 H new ATOM 1163 N ALA A 76 2.283 -7.659 -2.735 1.00 0.00 N ATOM 1164 CA ALA A 76 1.412 -7.669 -3.904 1.00 0.00 C ATOM 1165 C ALA A 76 0.664 -6.347 -4.041 1.00 0.00 C ATOM 1166 O ALA A 76 0.415 -5.877 -5.151 1.00 0.00 O ATOM 1167 CB ALA A 76 0.430 -8.828 -3.821 1.00 0.00 C ATOM 0 H ALA A 76 2.186 -8.475 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 76 2.034 -7.798 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.214 -8.823 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.980 -9.768 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.180 -8.724 -2.924 1.00 0.00 H new ATOM 1173 N ALA A 77 0.306 -5.754 -2.907 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.414 -4.487 -2.902 1.00 0.00 C ATOM 1175 C ALA A 77 0.547 -3.309 -3.022 1.00 0.00 C ATOM 1176 O ALA A 77 0.313 -2.381 -3.796 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.252 -4.361 -1.638 1.00 0.00 C ATOM 0 H ALA A 77 0.503 -6.131 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.077 -4.471 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.784 -3.410 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.971 -5.179 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.602 -4.404 -0.764 1.00 0.00 H new ATOM 1183 N ARG A 78 1.629 -3.354 -2.251 1.00 0.00 N ATOM 1184 CA ARG A 78 2.625 -2.289 -2.270 1.00 0.00 C ATOM 1185 C ARG A 78 3.229 -2.134 -3.662 1.00 0.00 C ATOM 1186 O ARG A 78 3.710 -1.061 -4.025 1.00 0.00 O ATOM 1187 CB ARG A 78 3.730 -2.578 -1.253 1.00 0.00 C ATOM 1188 CG ARG A 78 4.890 -3.377 -1.824 1.00 0.00 C ATOM 1189 CD ARG A 78 5.965 -2.467 -2.396 1.00 0.00 C ATOM 1190 NE ARG A 78 6.739 -3.126 -3.445 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.972 -2.768 -3.784 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.570 -1.762 -3.159 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.611 -3.417 -4.749 1.00 0.00 N ATOM 0 H ARG A 78 1.838 -4.116 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 78 2.128 -1.356 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.108 -1.633 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.304 -3.124 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.320 -4.004 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.524 -4.045 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.501 -1.567 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.635 -2.150 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 78 6.309 -3.904 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.083 -1.261 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.517 -1.489 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.155 -4.192 -5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.558 -3.141 -5.009 1.00 0.00 H new ATOM 1207 N ASP A 79 3.200 -3.213 -4.438 1.00 0.00 N ATOM 1208 CA ASP A 79 3.744 -3.197 -5.791 1.00 0.00 C ATOM 1209 C ASP A 79 2.925 -2.280 -6.695 1.00 0.00 C ATOM 1210 O ASP A 79 3.460 -1.657 -7.611 1.00 0.00 O ATOM 1211 CB ASP A 79 3.771 -4.612 -6.369 1.00 0.00 C ATOM 1212 CG ASP A 79 4.559 -4.695 -7.661 1.00 0.00 C ATOM 1213 OD1 ASP A 79 3.979 -4.403 -8.729 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.755 -5.048 -7.606 1.00 0.00 O ATOM 0 H ASP A 79 2.806 -4.109 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 79 4.763 -2.813 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.207 -5.292 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.750 -4.948 -6.548 1.00 0.00 H new ATOM 1219 N ALA A 80 1.625 -2.203 -6.429 1.00 0.00 N ATOM 1220 CA ALA A 80 0.733 -1.362 -7.217 1.00 0.00 C ATOM 1221 C ALA A 80 1.012 0.116 -6.971 1.00 0.00 C ATOM 1222 O ALA A 80 1.178 0.892 -7.913 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.719 -1.688 -6.899 1.00 0.00 C ATOM 0 H ALA A 80 1.167 -2.713 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 80 0.917 -1.569 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.374 -1.052 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.917 -2.734 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.908 -1.512 -5.840 1.00 0.00 H new ATOM 1229 N ILE A 81 1.061 0.500 -5.700 1.00 0.00 N ATOM 1230 CA ILE A 81 1.320 1.886 -5.330 1.00 0.00 C ATOM 1231 C ILE A 81 2.485 2.460 -6.131 1.00 0.00 C ATOM 1232 O ILE A 81 2.478 3.634 -6.503 1.00 0.00 O ATOM 1233 CB ILE A 81 1.629 2.020 -3.828 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.406 1.629 -2.997 1.00 0.00 C ATOM 1235 CG2 ILE A 81 2.066 3.440 -3.502 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.707 1.453 -1.525 1.00 0.00 C ATOM 0 H ILE A 81 0.925 -0.129 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 81 0.414 2.448 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 81 2.446 1.343 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.362 2.394 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.007 0.700 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.281 3.519 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.962 3.685 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.268 4.135 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.206 1.176 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.452 0.668 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.092 2.388 -1.118 1.00 0.00 H new ATOM 1248 N LEU A 82 3.482 1.624 -6.395 1.00 0.00 N ATOM 1249 CA LEU A 82 4.655 2.046 -7.154 1.00 0.00 C ATOM 1250 C LEU A 82 4.358 2.060 -8.650 1.00 0.00 C ATOM 1251 O LEU A 82 4.479 3.095 -9.307 1.00 0.00 O ATOM 1252 CB LEU A 82 5.836 1.119 -6.865 1.00 0.00 C ATOM 1253 CG LEU A 82 6.141 0.860 -5.389 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.262 -0.156 -5.245 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.503 2.160 -4.683 1.00 0.00 C ATOM 0 H LEU A 82 3.502 0.649 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 82 4.913 3.058 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.647 0.161 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.726 1.542 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 82 5.246 0.451 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.464 -0.327 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.965 -1.094 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.161 0.223 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.717 1.957 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.383 2.597 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.669 2.858 -4.755 1.00 0.00 H new ATOM 1267 N ARG A 83 3.970 0.906 -9.182 1.00 0.00 N ATOM 1268 CA ARG A 83 3.655 0.786 -10.600 1.00 0.00 C ATOM 1269 C ARG A 83 2.905 2.018 -11.097 1.00 0.00 C ATOM 1270 O ARG A 83 3.154 2.504 -12.200 1.00 0.00 O ATOM 1271 CB ARG A 83 2.820 -0.471 -10.854 1.00 0.00 C ATOM 1272 CG ARG A 83 2.899 -0.975 -12.286 1.00 0.00 C ATOM 1273 CD ARG A 83 2.299 -2.366 -12.420 1.00 0.00 C ATOM 1274 NE ARG A 83 2.522 -2.933 -13.747 1.00 0.00 N ATOM 1275 CZ ARG A 83 2.311 -4.210 -14.046 1.00 0.00 C ATOM 1276 NH1 ARG A 83 1.871 -5.048 -13.117 1.00 0.00 N ATOM 1277 NH2 ARG A 83 2.537 -4.650 -15.277 1.00 0.00 N ATOM 0 H ARG A 83 3.866 0.041 -8.652 1.00 0.00 H new ATOM 0 HA ARG A 83 4.593 0.708 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.153 -1.261 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.779 -0.261 -10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.372 -0.285 -12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.940 -0.994 -12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.735 -3.023 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.228 -2.320 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 83 2.858 -2.314 -14.485 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.694 -4.712 -12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.710 -6.028 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.873 -4.008 -15.995 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.375 -5.631 -15.506 1.00 0.00 H new ATOM 1291 N ILE A 84 1.988 2.517 -10.276 1.00 0.00 N ATOM 1292 CA ILE A 84 1.203 3.693 -10.632 1.00 0.00 C ATOM 1293 C ILE A 84 2.069 4.947 -10.655 1.00 0.00 C ATOM 1294 O ILE A 84 2.129 5.655 -11.660 1.00 0.00 O ATOM 1295 CB ILE A 84 0.034 3.907 -9.652 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.778 2.619 -9.503 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.854 5.048 -10.129 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.556 2.541 -8.208 1.00 0.00 C ATOM 0 H ILE A 84 1.770 2.126 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 84 0.802 3.514 -11.630 1.00 0.00 H new ATOM 0 HB ILE A 84 0.441 4.172 -8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.472 2.538 -10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.104 1.765 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.676 5.188 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.268 5.965 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.255 4.809 -11.114 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.108 1.602 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.866 2.590 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.256 3.375 -8.153 1.00 0.00 H new ATOM 1310 N VAL A 85 2.741 5.215 -9.540 1.00 0.00 N ATOM 1311 CA VAL A 85 3.609 6.382 -9.432 1.00 0.00 C ATOM 1312 C VAL A 85 4.464 6.549 -10.682 1.00 0.00 C ATOM 1313 O VAL A 85 4.417 7.583 -11.346 1.00 0.00 O ATOM 1314 CB VAL A 85 4.530 6.284 -8.202 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.602 7.363 -8.251 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.719 6.386 -6.919 1.00 0.00 C ATOM 0 H VAL A 85 2.701 4.640 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 85 2.959 7.250 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 85 5.024 5.312 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.244 7.279 -7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.202 7.239 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.129 8.345 -8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.386 6.315 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.196 7.342 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.992 5.574 -6.882 1.00 0.00 H new ATOM 1326 N GLY A 86 5.247 5.521 -10.999 1.00 0.00 N ATOM 1327 CA GLY A 86 6.103 5.573 -12.169 1.00 0.00 C ATOM 1328 C GLY A 86 5.427 6.238 -13.353 1.00 0.00 C ATOM 1329 O GLY A 86 6.045 7.031 -14.063 1.00 0.00 O ATOM 0 H GLY A 86 5.303 4.653 -10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.016 6.116 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.398 4.561 -12.445 1.00 0.00 H new ATOM 1333 N GLU A 87 4.156 5.912 -13.565 1.00 0.00 N ATOM 1334 CA GLU A 87 3.397 6.482 -14.673 1.00 0.00 C ATOM 1335 C GLU A 87 3.122 7.964 -14.438 1.00 0.00 C ATOM 1336 O GLU A 87 3.504 8.814 -15.244 1.00 0.00 O ATOM 1337 CB GLU A 87 2.078 5.730 -14.857 1.00 0.00 C ATOM 1338 CG GLU A 87 2.139 4.277 -14.415 1.00 0.00 C ATOM 1339 CD GLU A 87 1.200 3.386 -15.205 1.00 0.00 C ATOM 1340 OE1 GLU A 87 1.607 2.905 -16.283 1.00 0.00 O ATOM 1341 OE2 GLU A 87 0.059 3.172 -14.745 1.00 0.00 O ATOM 0 H GLU A 87 3.631 5.257 -12.985 1.00 0.00 H new ATOM 0 HA GLU A 87 3.994 6.380 -15.579 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.297 6.240 -14.293 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.790 5.770 -15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.160 3.910 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.889 4.213 -13.356 1.00 0.00 H new ATOM 1348 N LEU A 88 2.456 8.268 -13.329 1.00 0.00 N ATOM 1349 CA LEU A 88 2.128 9.646 -12.986 1.00 0.00 C ATOM 1350 C LEU A 88 3.261 10.589 -13.376 1.00 0.00 C ATOM 1351 O LEU A 88 3.025 11.738 -13.750 1.00 0.00 O ATOM 1352 CB LEU A 88 1.843 9.767 -11.487 1.00 0.00 C ATOM 1353 CG LEU A 88 1.008 8.644 -10.871 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.688 8.954 -9.417 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.271 8.432 -11.667 1.00 0.00 C ATOM 0 H LEU A 88 2.133 7.577 -12.652 1.00 0.00 H new ATOM 0 HA LEU A 88 1.235 9.929 -13.543 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.795 9.816 -10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.331 10.713 -11.310 1.00 0.00 H new ATOM 0 HG LEU A 88 1.590 7.723 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.093 8.144 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.616 9.055 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.125 9.886 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.853 7.629 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.858 9.351 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.021 8.164 -12.693 1.00 0.00 H new ATOM 1367 N GLU A 89 4.492 10.095 -13.289 1.00 0.00 N ATOM 1368 CA GLU A 89 5.662 10.894 -13.636 1.00 0.00 C ATOM 1369 C GLU A 89 5.729 11.137 -15.141 1.00 0.00 C ATOM 1370 O GLU A 89 5.763 12.280 -15.594 1.00 0.00 O ATOM 1371 CB GLU A 89 6.940 10.199 -13.163 1.00 0.00 C ATOM 1372 CG GLU A 89 7.328 10.544 -11.735 1.00 0.00 C ATOM 1373 CD GLU A 89 7.966 11.914 -11.618 1.00 0.00 C ATOM 1374 OE1 GLU A 89 7.397 12.881 -12.165 1.00 0.00 O ATOM 1375 OE2 GLU A 89 9.033 12.019 -10.978 1.00 0.00 O ATOM 0 H GLU A 89 4.705 9.146 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 89 5.574 11.857 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.808 9.120 -13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.759 10.471 -13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.441 10.505 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.021 9.791 -11.359 1.00 0.00 H new ATOM 1382 N GLN A 90 5.748 10.052 -15.909 1.00 0.00 N ATOM 1383 CA GLN A 90 5.812 10.147 -17.363 1.00 0.00 C ATOM 1384 C GLN A 90 4.761 11.117 -17.892 1.00 0.00 C ATOM 1385 O GLN A 90 5.076 12.035 -18.649 1.00 0.00 O ATOM 1386 CB GLN A 90 5.613 8.768 -17.994 1.00 0.00 C ATOM 1387 CG GLN A 90 6.899 7.970 -18.130 1.00 0.00 C ATOM 1388 CD GLN A 90 7.622 7.797 -16.809 1.00 0.00 C ATOM 1389 OE1 GLN A 90 7.498 6.763 -16.150 1.00 0.00 O ATOM 1390 NE2 GLN A 90 8.383 8.811 -16.413 1.00 0.00 N ATOM 0 H GLN A 90 5.720 9.098 -15.549 1.00 0.00 H new ATOM 0 HA GLN A 90 6.798 10.525 -17.634 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.905 8.200 -17.390 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.165 8.890 -18.980 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.671 6.989 -18.546 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.559 8.471 -18.838 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.457 9.649 -16.990 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.893 8.752 -15.532 1.00 0.00 H new ATOM 1399 N MET A 91 3.512 10.907 -17.489 1.00 0.00 N ATOM 1400 CA MET A 91 2.415 11.765 -17.922 1.00 0.00 C ATOM 1401 C MET A 91 2.549 13.162 -17.324 1.00 0.00 C ATOM 1402 O MET A 91 3.416 13.409 -16.487 1.00 0.00 O ATOM 1403 CB MET A 91 1.072 11.153 -17.522 1.00 0.00 C ATOM 1404 CG MET A 91 0.922 10.942 -16.024 1.00 0.00 C ATOM 1405 SD MET A 91 -0.466 9.870 -15.608 1.00 0.00 S ATOM 1406 CE MET A 91 -1.536 11.019 -14.747 1.00 0.00 C ATOM 0 H MET A 91 3.234 10.151 -16.864 1.00 0.00 H new ATOM 0 HA MET A 91 2.459 11.848 -19.008 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.268 11.801 -17.872 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.953 10.196 -18.029 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.841 10.510 -15.628 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.789 11.908 -15.537 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.441 10.503 -14.426 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.016 11.417 -13.875 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.803 11.838 -15.415 1.00 0.00 H new ATOM 1416 N SER A 92 1.685 14.073 -17.761 1.00 0.00 N ATOM 1417 CA SER A 92 1.710 15.446 -17.272 1.00 0.00 C ATOM 1418 C SER A 92 3.144 15.926 -17.072 1.00 0.00 C ATOM 1419 O SER A 92 3.469 16.542 -16.058 1.00 0.00 O ATOM 1420 CB SER A 92 0.936 15.556 -15.957 1.00 0.00 C ATOM 1421 OG SER A 92 -0.382 15.052 -16.096 1.00 0.00 O ATOM 0 H SER A 92 0.959 13.885 -18.453 1.00 0.00 H new ATOM 0 HA SER A 92 1.234 16.080 -18.020 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.459 15.004 -15.176 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.898 16.598 -15.640 1.00 0.00 H new ATOM 0 HG SER A 92 -0.855 15.132 -15.241 1.00 0.00 H new ATOM 1427 N GLY A 93 3.999 15.640 -18.050 1.00 0.00 N ATOM 1428 CA GLY A 93 5.388 16.049 -17.964 1.00 0.00 C ATOM 1429 C GLY A 93 5.716 17.191 -18.904 1.00 0.00 C ATOM 1430 O GLY A 93 4.853 17.704 -19.617 1.00 0.00 O ATOM 0 H GLY A 93 3.754 15.132 -18.900 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.612 16.349 -16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.029 15.198 -18.194 1.00 0.00 H new ATOM 1434 N PRO A 94 6.992 17.607 -18.915 1.00 0.00 N ATOM 1435 CA PRO A 94 7.459 18.702 -19.770 1.00 0.00 C ATOM 1436 C PRO A 94 7.470 18.319 -21.247 1.00 0.00 C ATOM 1437 O PRO A 94 7.490 17.138 -21.592 1.00 0.00 O ATOM 1438 CB PRO A 94 8.885 18.955 -19.273 1.00 0.00 C ATOM 1439 CG PRO A 94 9.314 17.660 -18.676 1.00 0.00 C ATOM 1440 CD PRO A 94 8.074 17.042 -18.092 1.00 0.00 C ATOM 0 HA PRO A 94 6.809 19.575 -19.707 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.542 19.251 -20.091 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.911 19.758 -18.537 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.756 17.010 -19.431 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.071 17.816 -17.908 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.100 15.954 -18.154 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.954 17.299 -17.039 1.00 0.00 H new ATOM 1448 N SER A 95 7.457 19.326 -22.114 1.00 0.00 N ATOM 1449 CA SER A 95 7.463 19.096 -23.554 1.00 0.00 C ATOM 1450 C SER A 95 8.873 19.223 -24.119 1.00 0.00 C ATOM 1451 O SER A 95 9.599 20.164 -23.800 1.00 0.00 O ATOM 1452 CB SER A 95 6.528 20.085 -24.254 1.00 0.00 C ATOM 1453 OG SER A 95 6.029 19.545 -25.465 1.00 0.00 O ATOM 0 H SER A 95 7.442 20.310 -21.844 1.00 0.00 H new ATOM 0 HA SER A 95 7.109 18.081 -23.736 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.697 20.334 -23.594 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.062 21.013 -24.459 1.00 0.00 H new ATOM 0 HG SER A 95 5.433 20.195 -25.892 1.00 0.00 H new ATOM 1459 N SER A 96 9.255 18.269 -24.963 1.00 0.00 N ATOM 1460 CA SER A 96 10.580 18.271 -25.571 1.00 0.00 C ATOM 1461 C SER A 96 10.565 19.019 -26.901 1.00 0.00 C ATOM 1462 O SER A 96 9.529 19.122 -27.557 1.00 0.00 O ATOM 1463 CB SER A 96 11.070 16.837 -25.784 1.00 0.00 C ATOM 1464 OG SER A 96 12.234 16.811 -26.590 1.00 0.00 O ATOM 0 H SER A 96 8.665 17.485 -25.241 1.00 0.00 H new ATOM 0 HA SER A 96 11.263 18.783 -24.893 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.281 16.374 -24.820 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.284 16.247 -26.255 1.00 0.00 H new ATOM 0 HG SER A 96 12.528 15.884 -26.710 1.00 0.00 H new ATOM 1470 N GLY A 97 11.724 19.539 -27.293 1.00 0.00 N ATOM 1471 CA GLY A 97 11.824 20.270 -28.544 1.00 0.00 C ATOM 1472 C GLY A 97 11.451 19.421 -29.742 1.00 0.00 C ATOM 1473 O GLY A 97 12.317 18.827 -30.385 1.00 0.00 O ATOM 0 H GLY A 97 12.595 19.468 -26.767 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.173 21.143 -28.504 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.843 20.638 -28.666 1.00 0.00 H new TER 1477 GLY A 97