USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 798 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 104 GLN : amide:sc= -0.328 K(o=0.18,f=-4.1!) USER MOD Set 1.2: A 110 SER OG : rot 70:sc= 0.512 USER MOD Set 2.1: A 67 GLN : amide:sc= -5.49! C(o=-9.8!,f=-18!) USER MOD Set 2.2: A 72 HIS : no HD1:sc= -4.28! C(o=-9.8!,f=-9.9!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0948 (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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00376 X(o=-0.0038,f=-0.16) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.04 X(o=-3,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.08 K(o=-2.1,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= -0.0944 K(o=-0.094,f=-0.67) USER MOD Single : A 63 TYR OH : rot -155:sc= 0.255 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.166) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 77 HIS : no HD1:sc= -1.37! K(o=-1.4!,f=0.16) USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= -1.14 (180deg=-3!) USER MOD Single : A 81 HIS : no HE2:sc= -2.43 K(o=-2.4,f=-8.5!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -133:sc= 1.16 USER MOD Single : A 92 CYS SG : rot -170:sc= -1.47 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -59:sc= 0.494 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.032 19.403 8.523 1.00 0.00 N ATOM 2 CA GLY A 1 -25.632 18.932 9.836 1.00 0.00 C ATOM 3 C GLY A 1 -24.149 19.117 10.091 1.00 0.00 C ATOM 4 O GLY A 1 -23.441 19.706 9.275 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.846 20.043 8.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.240 19.913 8.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.296 18.591 7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.198 19.467 10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.885 17.876 9.933 1.00 0.00 H new ATOM 8 N SER A 2 -23.678 18.613 11.228 1.00 0.00 N ATOM 9 CA SER A 2 -22.271 18.731 11.591 1.00 0.00 C ATOM 10 C SER A 2 -21.592 17.364 11.583 1.00 0.00 C ATOM 11 O SER A 2 -20.489 17.210 11.058 1.00 0.00 O ATOM 12 CB SER A 2 -22.130 19.375 12.971 1.00 0.00 C ATOM 13 OG SER A 2 -22.453 20.754 12.926 1.00 0.00 O ATOM 0 H SER A 2 -24.250 18.119 11.913 1.00 0.00 H new ATOM 0 HA SER A 2 -21.782 19.365 10.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.784 18.868 13.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.109 19.249 13.332 1.00 0.00 H new ATOM 0 HG SER A 2 -22.357 21.142 13.821 1.00 0.00 H new ATOM 19 N SER A 3 -22.260 16.375 12.169 1.00 0.00 N ATOM 20 CA SER A 3 -21.720 15.022 12.233 1.00 0.00 C ATOM 21 C SER A 3 -22.201 14.189 11.049 1.00 0.00 C ATOM 22 O SER A 3 -21.422 13.472 10.423 1.00 0.00 O ATOM 23 CB SER A 3 -22.130 14.349 13.545 1.00 0.00 C ATOM 24 OG SER A 3 -21.909 12.951 13.491 1.00 0.00 O ATOM 0 H SER A 3 -23.175 16.485 12.606 1.00 0.00 H new ATOM 0 HA SER A 3 -20.633 15.088 12.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.563 14.779 14.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.183 14.547 13.745 1.00 0.00 H new ATOM 0 HG SER A 3 -22.177 12.544 14.341 1.00 0.00 H new ATOM 30 N GLY A 4 -23.492 14.289 10.748 1.00 0.00 N ATOM 31 CA GLY A 4 -24.056 13.540 9.640 1.00 0.00 C ATOM 32 C GLY A 4 -24.115 12.051 9.918 1.00 0.00 C ATOM 33 O GLY A 4 -24.197 11.631 11.072 1.00 0.00 O ATOM 0 H GLY A 4 -24.158 14.875 11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.061 13.908 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.459 13.716 8.745 1.00 0.00 H new ATOM 37 N SER A 5 -24.074 11.251 8.857 1.00 0.00 N ATOM 38 CA SER A 5 -24.129 9.800 8.992 1.00 0.00 C ATOM 39 C SER A 5 -22.725 9.209 9.075 1.00 0.00 C ATOM 40 O SER A 5 -21.780 9.741 8.494 1.00 0.00 O ATOM 41 CB SER A 5 -24.885 9.185 7.812 1.00 0.00 C ATOM 42 OG SER A 5 -24.328 9.602 6.578 1.00 0.00 O ATOM 0 H SER A 5 -24.003 11.583 7.895 1.00 0.00 H new ATOM 0 HA SER A 5 -24.659 9.565 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.851 8.098 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.935 9.475 7.857 1.00 0.00 H new ATOM 0 HG SER A 5 -24.827 9.195 5.840 1.00 0.00 H new ATOM 48 N SER A 6 -22.598 8.103 9.802 1.00 0.00 N ATOM 49 CA SER A 6 -21.309 7.440 9.966 1.00 0.00 C ATOM 50 C SER A 6 -21.295 6.096 9.244 1.00 0.00 C ATOM 51 O SER A 6 -21.569 5.055 9.840 1.00 0.00 O ATOM 52 CB SER A 6 -21.001 7.238 11.450 1.00 0.00 C ATOM 53 OG SER A 6 -21.133 8.452 12.169 1.00 0.00 O ATOM 0 H SER A 6 -23.371 7.647 10.286 1.00 0.00 H new ATOM 0 HA SER A 6 -20.541 8.077 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.676 6.490 11.866 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.988 6.852 11.565 1.00 0.00 H new ATOM 0 HG SER A 6 -20.932 8.295 13.115 1.00 0.00 H new ATOM 59 N GLY A 7 -20.972 6.128 7.954 1.00 0.00 N ATOM 60 CA GLY A 7 -20.928 4.907 7.171 1.00 0.00 C ATOM 61 C GLY A 7 -19.728 4.044 7.509 1.00 0.00 C ATOM 62 O GLY A 7 -18.664 4.556 7.860 1.00 0.00 O ATOM 0 H GLY A 7 -20.740 6.977 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.841 4.337 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.903 5.160 6.111 1.00 0.00 H new ATOM 66 N THR A 8 -19.898 2.730 7.407 1.00 0.00 N ATOM 67 CA THR A 8 -18.823 1.794 7.708 1.00 0.00 C ATOM 68 C THR A 8 -18.943 0.529 6.866 1.00 0.00 C ATOM 69 O THR A 8 -19.956 0.306 6.204 1.00 0.00 O ATOM 70 CB THR A 8 -18.815 1.406 9.198 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.065 0.803 9.554 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.568 2.626 10.073 1.00 0.00 C ATOM 0 H THR A 8 -20.771 2.290 7.118 1.00 0.00 H new ATOM 0 HA THR A 8 -17.888 2.300 7.468 1.00 0.00 H new ATOM 0 HB THR A 8 -18.008 0.692 9.361 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.051 0.558 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.567 2.328 11.121 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.604 3.066 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.357 3.360 9.906 1.00 0.00 H new ATOM 80 N ALA A 9 -17.903 -0.298 6.896 1.00 0.00 N ATOM 81 CA ALA A 9 -17.894 -1.543 6.138 1.00 0.00 C ATOM 82 C ALA A 9 -17.217 -2.660 6.924 1.00 0.00 C ATOM 83 O ALA A 9 -16.761 -2.452 8.049 1.00 0.00 O ATOM 84 CB ALA A 9 -17.199 -1.341 4.800 1.00 0.00 C ATOM 0 H ALA A 9 -17.055 -0.128 7.437 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.928 -1.837 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.200 -2.279 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.728 -0.579 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.171 -1.020 4.969 1.00 0.00 H new ATOM 90 N ARG A 10 -17.154 -3.845 6.326 1.00 0.00 N ATOM 91 CA ARG A 10 -16.533 -4.995 6.972 1.00 0.00 C ATOM 92 C ARG A 10 -15.401 -5.554 6.115 1.00 0.00 C ATOM 93 O ARG A 10 -15.209 -5.138 4.972 1.00 0.00 O ATOM 94 CB ARG A 10 -17.576 -6.084 7.232 1.00 0.00 C ATOM 95 CG ARG A 10 -18.260 -5.962 8.584 1.00 0.00 C ATOM 96 CD ARG A 10 -18.669 -7.322 9.127 1.00 0.00 C ATOM 97 NE ARG A 10 -17.618 -7.923 9.943 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.461 -7.676 11.239 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.283 -6.843 11.862 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.480 -8.262 11.913 1.00 0.00 N ATOM 0 H ARG A 10 -17.525 -4.034 5.395 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.116 -4.665 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.332 -6.046 6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.095 -7.060 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.588 -5.474 9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.141 -5.326 8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.575 -7.217 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.909 -7.987 8.297 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.968 -8.568 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.038 -6.390 11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.161 -6.655 12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.846 -8.903 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.360 -8.072 12.908 1.00 0.00 H new ATOM 114 N LEU A 11 -14.654 -6.499 6.676 1.00 0.00 N ATOM 115 CA LEU A 11 -13.539 -7.115 5.964 1.00 0.00 C ATOM 116 C LEU A 11 -13.885 -8.539 5.540 1.00 0.00 C ATOM 117 O LEU A 11 -14.644 -9.233 6.217 1.00 0.00 O ATOM 118 CB LEU A 11 -12.288 -7.123 6.844 1.00 0.00 C ATOM 119 CG LEU A 11 -10.998 -7.594 6.172 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.611 -6.654 5.040 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.872 -7.696 7.191 1.00 0.00 C ATOM 0 H LEU A 11 -14.800 -6.855 7.621 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.342 -6.526 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.129 -6.114 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.479 -7.762 7.706 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.171 -8.584 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.691 -7.005 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.408 -6.631 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.456 -5.651 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.962 -8.033 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.699 -6.719 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.147 -8.410 7.967 1.00 0.00 H new ATOM 133 N VAL A 12 -13.321 -8.970 4.416 1.00 0.00 N ATOM 134 CA VAL A 12 -13.567 -10.312 3.902 1.00 0.00 C ATOM 135 C VAL A 12 -12.263 -10.998 3.512 1.00 0.00 C ATOM 136 O VAL A 12 -12.100 -12.202 3.709 1.00 0.00 O ATOM 137 CB VAL A 12 -14.505 -10.284 2.681 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.952 -10.461 3.115 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.328 -8.988 1.904 1.00 0.00 C ATOM 0 H VAL A 12 -12.690 -8.409 3.844 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.045 -10.875 4.704 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.244 -11.114 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.600 -10.439 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.064 -11.418 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.230 -9.654 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.998 -8.985 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.562 -8.142 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.297 -8.908 1.560 1.00 0.00 H new ATOM 149 N ALA A 13 -11.337 -10.224 2.956 1.00 0.00 N ATOM 150 CA ALA A 13 -10.045 -10.756 2.540 1.00 0.00 C ATOM 151 C ALA A 13 -8.907 -9.844 2.983 1.00 0.00 C ATOM 152 O ALA A 13 -8.352 -9.093 2.181 1.00 0.00 O ATOM 153 CB ALA A 13 -10.015 -10.947 1.031 1.00 0.00 C ATOM 0 H ALA A 13 -11.457 -9.226 2.783 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.906 -11.724 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.045 -11.345 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.799 -11.645 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.180 -9.988 0.540 1.00 0.00 H new ATOM 159 N GLY A 14 -8.563 -9.913 4.265 1.00 0.00 N ATOM 160 CA GLY A 14 -7.492 -9.087 4.792 1.00 0.00 C ATOM 161 C GLY A 14 -6.241 -9.147 3.939 1.00 0.00 C ATOM 162 O GLY A 14 -6.005 -10.131 3.238 1.00 0.00 O ATOM 0 H GLY A 14 -9.007 -10.526 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.833 -8.054 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.253 -9.410 5.805 1.00 0.00 H new ATOM 166 N LEU A 15 -5.436 -8.091 3.997 1.00 0.00 N ATOM 167 CA LEU A 15 -4.202 -8.026 3.223 1.00 0.00 C ATOM 168 C LEU A 15 -3.433 -9.340 3.313 1.00 0.00 C ATOM 169 O LEU A 15 -3.596 -10.101 4.266 1.00 0.00 O ATOM 170 CB LEU A 15 -3.326 -6.874 3.718 1.00 0.00 C ATOM 171 CG LEU A 15 -3.892 -5.467 3.521 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.370 -4.526 4.595 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.546 -4.943 2.135 1.00 0.00 C ATOM 0 H LEU A 15 -5.616 -7.268 4.572 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.465 -7.851 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.134 -7.021 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.364 -6.931 3.209 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.977 -5.517 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.784 -3.530 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.669 -4.893 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.282 -4.480 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.957 -3.941 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.463 -4.908 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.971 -5.604 1.380 1.00 0.00 H new ATOM 185 N GLU A 16 -2.593 -9.598 2.315 1.00 0.00 N ATOM 186 CA GLU A 16 -1.797 -10.819 2.283 1.00 0.00 C ATOM 187 C GLU A 16 -0.306 -10.498 2.306 1.00 0.00 C ATOM 188 O GLU A 16 0.125 -9.461 1.802 1.00 0.00 O ATOM 189 CB GLU A 16 -2.134 -11.641 1.037 1.00 0.00 C ATOM 190 CG GLU A 16 -3.600 -12.027 0.941 1.00 0.00 C ATOM 191 CD GLU A 16 -4.017 -13.010 2.017 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.142 -13.740 2.526 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.220 -13.049 2.351 1.00 0.00 O ATOM 0 H GLU A 16 -2.446 -8.978 1.519 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.038 -11.403 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.858 -11.070 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.528 -12.547 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.214 -11.129 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.793 -12.463 -0.039 1.00 0.00 H new ATOM 200 N ASP A 17 0.477 -11.395 2.896 1.00 0.00 N ATOM 201 CA ASP A 17 1.921 -11.208 2.985 1.00 0.00 C ATOM 202 C ASP A 17 2.545 -11.122 1.596 1.00 0.00 C ATOM 203 O ASP A 17 2.248 -11.933 0.719 1.00 0.00 O ATOM 204 CB ASP A 17 2.557 -12.355 3.773 1.00 0.00 C ATOM 205 CG ASP A 17 1.879 -13.685 3.509 1.00 0.00 C ATOM 206 OD1 ASP A 17 0.690 -13.826 3.867 1.00 0.00 O ATOM 207 OD2 ASP A 17 2.536 -14.584 2.944 1.00 0.00 O ATOM 0 H ASP A 17 0.136 -12.258 3.319 1.00 0.00 H new ATOM 0 HA ASP A 17 2.110 -10.270 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.612 -12.430 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.508 -12.131 4.839 1.00 0.00 H new ATOM 212 N VAL A 18 3.410 -10.131 1.401 1.00 0.00 N ATOM 213 CA VAL A 18 4.075 -9.938 0.119 1.00 0.00 C ATOM 214 C VAL A 18 5.568 -9.689 0.306 1.00 0.00 C ATOM 215 O VAL A 18 5.969 -8.812 1.070 1.00 0.00 O ATOM 216 CB VAL A 18 3.463 -8.758 -0.659 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.242 -8.502 -1.941 1.00 0.00 C ATOM 218 CG2 VAL A 18 1.996 -9.024 -0.961 1.00 0.00 C ATOM 0 H VAL A 18 3.666 -9.450 2.115 1.00 0.00 H new ATOM 0 HA VAL A 18 3.931 -10.855 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 18 3.527 -7.864 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.795 -7.665 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.277 -8.265 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.212 -9.393 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.579 -8.180 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.907 -9.929 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.450 -9.153 -0.027 1.00 0.00 H new ATOM 228 N GLN A 19 6.384 -10.467 -0.397 1.00 0.00 N ATOM 229 CA GLN A 19 7.833 -10.331 -0.308 1.00 0.00 C ATOM 230 C GLN A 19 8.468 -10.346 -1.695 1.00 0.00 C ATOM 231 O GLN A 19 8.248 -11.269 -2.480 1.00 0.00 O ATOM 232 CB GLN A 19 8.421 -11.455 0.547 1.00 0.00 C ATOM 233 CG GLN A 19 8.615 -12.758 -0.211 1.00 0.00 C ATOM 234 CD GLN A 19 8.789 -13.949 0.711 1.00 0.00 C ATOM 235 OE1 GLN A 19 7.985 -14.171 1.616 1.00 0.00 O ATOM 236 NE2 GLN A 19 9.844 -14.724 0.485 1.00 0.00 N ATOM 0 H GLN A 19 6.067 -11.198 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 19 8.054 -9.373 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.382 -11.131 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.764 -11.634 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.756 -12.928 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.489 -12.672 -0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.485 -14.503 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.013 -15.540 1.073 1.00 0.00 H new ATOM 245 N VAL A 20 9.257 -9.318 -1.991 1.00 0.00 N ATOM 246 CA VAL A 20 9.925 -9.214 -3.283 1.00 0.00 C ATOM 247 C VAL A 20 11.350 -8.696 -3.125 1.00 0.00 C ATOM 248 O VAL A 20 11.675 -8.034 -2.138 1.00 0.00 O ATOM 249 CB VAL A 20 9.155 -8.283 -4.238 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.772 -8.844 -4.533 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.057 -6.882 -3.653 1.00 0.00 C ATOM 0 H VAL A 20 9.449 -8.545 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 20 9.952 -10.217 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 20 9.704 -8.222 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.244 -8.172 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.869 -9.825 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.211 -8.937 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.510 -6.238 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.532 -6.922 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.059 -6.481 -3.499 1.00 0.00 H new ATOM 261 N TYR A 21 12.196 -9.000 -4.102 1.00 0.00 N ATOM 262 CA TYR A 21 13.588 -8.568 -4.071 1.00 0.00 C ATOM 263 C TYR A 21 13.708 -7.092 -4.441 1.00 0.00 C ATOM 264 O TYR A 21 12.840 -6.537 -5.115 1.00 0.00 O ATOM 265 CB TYR A 21 14.429 -9.414 -5.028 1.00 0.00 C ATOM 266 CG TYR A 21 14.635 -10.836 -4.557 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.552 -11.674 -4.319 1.00 0.00 C ATOM 268 CD2 TYR A 21 15.912 -11.342 -4.348 1.00 0.00 C ATOM 269 CE1 TYR A 21 13.735 -12.973 -3.888 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.104 -12.640 -3.918 1.00 0.00 C ATOM 271 CZ TYR A 21 15.013 -13.452 -3.689 1.00 0.00 C ATOM 272 OH TYR A 21 15.201 -14.746 -3.259 1.00 0.00 O ATOM 0 H TYR A 21 11.942 -9.545 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 21 13.961 -8.702 -3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.946 -9.430 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.401 -8.939 -5.160 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.550 -11.303 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.769 -10.709 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 21 12.882 -13.610 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.104 -13.018 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 21 16.160 -14.925 -3.170 1.00 0.00 H new ATOM 282 N ASP A 22 14.789 -6.463 -3.994 1.00 0.00 N ATOM 283 CA ASP A 22 15.026 -5.053 -4.278 1.00 0.00 C ATOM 284 C ASP A 22 14.767 -4.744 -5.750 1.00 0.00 C ATOM 285 O ASP A 22 14.989 -5.585 -6.620 1.00 0.00 O ATOM 286 CB ASP A 22 16.460 -4.670 -3.909 1.00 0.00 C ATOM 287 CG ASP A 22 16.878 -5.224 -2.562 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.095 -5.995 -1.967 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.990 -4.889 -2.102 1.00 0.00 O ATOM 0 H ASP A 22 15.516 -6.908 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 22 14.334 -4.465 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.140 -5.038 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.551 -3.584 -3.896 1.00 0.00 H new ATOM 294 N GLY A 23 14.293 -3.531 -6.020 1.00 0.00 N ATOM 295 CA GLY A 23 14.010 -3.133 -7.387 1.00 0.00 C ATOM 296 C GLY A 23 12.668 -3.642 -7.873 1.00 0.00 C ATOM 297 O GLY A 23 11.977 -2.962 -8.630 1.00 0.00 O ATOM 0 H GLY A 23 14.100 -2.818 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.030 -2.045 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.796 -3.509 -8.042 1.00 0.00 H new ATOM 301 N GLU A 24 12.298 -4.843 -7.437 1.00 0.00 N ATOM 302 CA GLU A 24 11.030 -5.442 -7.835 1.00 0.00 C ATOM 303 C GLU A 24 9.858 -4.551 -7.435 1.00 0.00 C ATOM 304 O GLU A 24 10.043 -3.509 -6.807 1.00 0.00 O ATOM 305 CB GLU A 24 10.874 -6.826 -7.201 1.00 0.00 C ATOM 306 CG GLU A 24 11.975 -7.800 -7.584 1.00 0.00 C ATOM 307 CD GLU A 24 12.225 -7.838 -9.079 1.00 0.00 C ATOM 308 OE1 GLU A 24 12.711 -6.825 -9.625 1.00 0.00 O ATOM 309 OE2 GLU A 24 11.936 -8.880 -9.703 1.00 0.00 O ATOM 0 H GLU A 24 12.858 -5.419 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 24 11.030 -5.545 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.856 -6.719 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.912 -7.245 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.896 -7.521 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.708 -8.799 -7.238 1.00 0.00 H new ATOM 316 N ASP A 25 8.652 -4.970 -7.803 1.00 0.00 N ATOM 317 CA ASP A 25 7.448 -4.211 -7.483 1.00 0.00 C ATOM 318 C ASP A 25 6.547 -4.997 -6.536 1.00 0.00 C ATOM 319 O ASP A 25 6.159 -6.128 -6.828 1.00 0.00 O ATOM 320 CB ASP A 25 6.685 -3.862 -8.761 1.00 0.00 C ATOM 321 CG ASP A 25 7.609 -3.591 -9.932 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.700 -3.027 -9.708 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.241 -3.943 -11.072 1.00 0.00 O ATOM 0 H ASP A 25 8.482 -5.831 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 25 7.750 -3.289 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.013 -4.682 -9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.064 -2.984 -8.582 1.00 0.00 H new ATOM 328 N ALA A 26 6.218 -4.391 -5.400 1.00 0.00 N ATOM 329 CA ALA A 26 5.362 -5.033 -4.410 1.00 0.00 C ATOM 330 C ALA A 26 3.932 -4.511 -4.500 1.00 0.00 C ATOM 331 O ALA A 26 3.696 -3.304 -4.442 1.00 0.00 O ATOM 332 CB ALA A 26 5.918 -4.816 -3.011 1.00 0.00 C ATOM 0 H ALA A 26 6.532 -3.455 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 26 5.345 -6.102 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.269 -5.301 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.919 -5.244 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.966 -3.748 -2.800 1.00 0.00 H new ATOM 338 N VAL A 27 2.980 -5.428 -4.644 1.00 0.00 N ATOM 339 CA VAL A 27 1.573 -5.060 -4.741 1.00 0.00 C ATOM 340 C VAL A 27 0.723 -5.878 -3.776 1.00 0.00 C ATOM 341 O VAL A 27 0.877 -7.095 -3.675 1.00 0.00 O ATOM 342 CB VAL A 27 1.039 -5.258 -6.173 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.709 -6.454 -6.832 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.473 -5.423 -6.159 1.00 0.00 C ATOM 0 H VAL A 27 3.158 -6.431 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 27 1.503 -4.005 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 27 1.279 -4.370 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.319 -6.578 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.786 -6.289 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.503 -7.353 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.833 -5.562 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.739 -6.293 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.932 -4.532 -5.730 1.00 0.00 H new ATOM 354 N PHE A 28 -0.176 -5.201 -3.068 1.00 0.00 N ATOM 355 CA PHE A 28 -1.051 -5.865 -2.110 1.00 0.00 C ATOM 356 C PHE A 28 -2.500 -5.840 -2.589 1.00 0.00 C ATOM 357 O PHE A 28 -2.828 -5.182 -3.576 1.00 0.00 O ATOM 358 CB PHE A 28 -0.944 -5.194 -0.739 1.00 0.00 C ATOM 359 CG PHE A 28 0.315 -5.543 0.002 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.461 -4.779 -0.154 1.00 0.00 C ATOM 361 CD2 PHE A 28 0.353 -6.634 0.855 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.621 -5.098 0.526 1.00 0.00 C ATOM 363 CE2 PHE A 28 1.510 -6.958 1.538 1.00 0.00 C ATOM 364 CZ PHE A 28 2.645 -6.188 1.374 1.00 0.00 C ATOM 0 H PHE A 28 -0.317 -4.193 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.733 -6.904 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.993 -4.113 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.804 -5.482 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.447 -3.925 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.532 -7.239 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.508 -4.496 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.527 -7.812 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.550 -6.438 1.908 1.00 0.00 H new ATOM 374 N SER A 29 -3.363 -6.563 -1.882 1.00 0.00 N ATOM 375 CA SER A 29 -4.776 -6.628 -2.236 1.00 0.00 C ATOM 376 C SER A 29 -5.624 -6.996 -1.022 1.00 0.00 C ATOM 377 O SER A 29 -5.183 -7.739 -0.144 1.00 0.00 O ATOM 378 CB SER A 29 -4.996 -7.648 -3.355 1.00 0.00 C ATOM 379 OG SER A 29 -4.988 -8.972 -2.847 1.00 0.00 O ATOM 0 H SER A 29 -3.108 -7.112 -1.061 1.00 0.00 H new ATOM 0 HA SER A 29 -5.084 -5.643 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.947 -7.451 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.216 -7.540 -4.109 1.00 0.00 H new ATOM 0 HG SER A 29 -5.132 -9.605 -3.581 1.00 0.00 H new ATOM 385 N LEU A 30 -6.844 -6.471 -0.980 1.00 0.00 N ATOM 386 CA LEU A 30 -7.756 -6.743 0.126 1.00 0.00 C ATOM 387 C LEU A 30 -9.203 -6.505 -0.291 1.00 0.00 C ATOM 388 O LEU A 30 -9.505 -5.548 -1.005 1.00 0.00 O ATOM 389 CB LEU A 30 -7.408 -5.864 1.328 1.00 0.00 C ATOM 390 CG LEU A 30 -7.706 -4.372 1.177 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.119 -4.060 1.645 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.690 -3.544 1.950 1.00 0.00 C ATOM 0 H LEU A 30 -7.224 -5.855 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.646 -7.791 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.953 -6.237 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.346 -5.982 1.544 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.629 -4.111 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.313 -2.994 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.834 -4.625 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.224 -4.337 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.918 -2.485 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.734 -3.808 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.690 -3.745 1.567 1.00 0.00 H new ATOM 404 N ASP A 31 -10.095 -7.380 0.160 1.00 0.00 N ATOM 405 CA ASP A 31 -11.512 -7.263 -0.163 1.00 0.00 C ATOM 406 C ASP A 31 -12.306 -6.771 1.043 1.00 0.00 C ATOM 407 O ASP A 31 -11.869 -6.909 2.186 1.00 0.00 O ATOM 408 CB ASP A 31 -12.062 -8.610 -0.636 1.00 0.00 C ATOM 409 CG ASP A 31 -11.428 -9.071 -1.934 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.295 -9.593 -1.886 1.00 0.00 O ATOM 411 OD2 ASP A 31 -12.064 -8.909 -2.996 1.00 0.00 O ATOM 0 H ASP A 31 -9.862 -8.178 0.751 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.617 -6.534 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.890 -9.360 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.141 -8.532 -0.770 1.00 0.00 H new ATOM 416 N LEU A 32 -13.474 -6.194 0.781 1.00 0.00 N ATOM 417 CA LEU A 32 -14.329 -5.680 1.845 1.00 0.00 C ATOM 418 C LEU A 32 -15.776 -6.116 1.639 1.00 0.00 C ATOM 419 O LEU A 32 -16.123 -6.684 0.603 1.00 0.00 O ATOM 420 CB LEU A 32 -14.248 -4.153 1.898 1.00 0.00 C ATOM 421 CG LEU A 32 -12.840 -3.558 1.931 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.901 -2.039 1.873 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.096 -4.015 3.178 1.00 0.00 C ATOM 0 H LEU A 32 -13.850 -6.071 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.976 -6.090 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.771 -3.751 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.787 -3.811 2.782 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.296 -3.914 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.890 -1.633 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.394 -1.730 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.463 -1.665 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.096 -3.582 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.638 -3.689 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.020 -5.102 3.178 1.00 0.00 H new ATOM 435 N SER A 33 -16.618 -5.845 2.632 1.00 0.00 N ATOM 436 CA SER A 33 -18.027 -6.211 2.560 1.00 0.00 C ATOM 437 C SER A 33 -18.810 -5.199 1.729 1.00 0.00 C ATOM 438 O SER A 33 -19.783 -5.547 1.059 1.00 0.00 O ATOM 439 CB SER A 33 -18.624 -6.303 3.966 1.00 0.00 C ATOM 440 OG SER A 33 -19.968 -6.750 3.922 1.00 0.00 O ATOM 0 H SER A 33 -16.348 -5.373 3.495 1.00 0.00 H new ATOM 0 HA SER A 33 -18.099 -7.185 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.030 -6.987 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.578 -5.327 4.448 1.00 0.00 H new ATOM 0 HG SER A 33 -20.326 -6.802 4.833 1.00 0.00 H new ATOM 446 N THR A 34 -18.378 -3.942 1.778 1.00 0.00 N ATOM 447 CA THR A 34 -19.037 -2.878 1.032 1.00 0.00 C ATOM 448 C THR A 34 -18.051 -1.780 0.652 1.00 0.00 C ATOM 449 O THR A 34 -16.931 -1.734 1.164 1.00 0.00 O ATOM 450 CB THR A 34 -20.193 -2.258 1.840 1.00 0.00 C ATOM 451 OG1 THR A 34 -20.949 -1.368 1.010 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.663 -1.503 3.050 1.00 0.00 C ATOM 0 H THR A 34 -17.574 -3.637 2.327 1.00 0.00 H new ATOM 0 HA THR A 34 -19.439 -3.330 0.125 1.00 0.00 H new ATOM 0 HB THR A 34 -20.838 -3.065 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.683 -0.979 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.497 -1.074 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.113 -2.189 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.999 -0.705 2.719 1.00 0.00 H new ATOM 460 N ILE A 35 -18.472 -0.897 -0.246 1.00 0.00 N ATOM 461 CA ILE A 35 -17.625 0.203 -0.692 1.00 0.00 C ATOM 462 C ILE A 35 -17.359 1.187 0.442 1.00 0.00 C ATOM 463 O ILE A 35 -18.285 1.630 1.122 1.00 0.00 O ATOM 464 CB ILE A 35 -18.260 0.959 -1.875 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.686 -0.024 -2.967 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.285 1.986 -2.431 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.745 0.527 -3.896 1.00 0.00 C ATOM 0 H ILE A 35 -19.395 -0.921 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.682 -0.237 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.147 1.483 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.811 -0.305 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.062 -0.934 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.748 2.512 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.026 2.701 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.382 1.481 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.999 -0.224 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.636 0.782 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.365 1.420 -4.392 1.00 0.00 H new ATOM 479 N ILE A 36 -16.090 1.526 0.638 1.00 0.00 N ATOM 480 CA ILE A 36 -15.703 2.460 1.688 1.00 0.00 C ATOM 481 C ILE A 36 -14.382 3.145 1.355 1.00 0.00 C ATOM 482 O ILE A 36 -13.538 2.581 0.659 1.00 0.00 O ATOM 483 CB ILE A 36 -15.572 1.753 3.050 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.375 2.782 4.166 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.416 0.764 3.025 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.880 2.316 5.513 1.00 0.00 C ATOM 0 H ILE A 36 -15.312 1.168 0.084 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.493 3.209 1.751 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.492 1.202 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.314 3.020 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.888 3.704 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.337 0.273 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.594 0.016 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.488 1.294 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.708 3.095 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.948 2.106 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.349 1.411 5.807 1.00 0.00 H new ATOM 498 N GLN A 37 -14.211 4.364 1.856 1.00 0.00 N ATOM 499 CA GLN A 37 -12.992 5.126 1.612 1.00 0.00 C ATOM 500 C GLN A 37 -12.104 5.145 2.853 1.00 0.00 C ATOM 501 O GLN A 37 -12.393 5.843 3.824 1.00 0.00 O ATOM 502 CB GLN A 37 -13.334 6.557 1.193 1.00 0.00 C ATOM 503 CG GLN A 37 -12.196 7.271 0.483 1.00 0.00 C ATOM 504 CD GLN A 37 -12.442 8.761 0.340 1.00 0.00 C ATOM 505 OE1 GLN A 37 -12.154 9.539 1.249 1.00 0.00 O ATOM 506 NE2 GLN A 37 -12.977 9.165 -0.806 1.00 0.00 N ATOM 0 H GLN A 37 -14.901 4.845 2.433 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.446 4.640 0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.204 6.537 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.615 7.129 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.270 7.111 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.057 6.833 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.200 8.485 -1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.165 10.156 -0.960 1.00 0.00 H new ATOM 515 N GLY A 38 -11.022 4.374 2.812 1.00 0.00 N ATOM 516 CA GLY A 38 -10.109 4.317 3.939 1.00 0.00 C ATOM 517 C GLY A 38 -8.788 5.002 3.651 1.00 0.00 C ATOM 518 O GLY A 38 -8.714 5.892 2.802 1.00 0.00 O ATOM 0 H GLY A 38 -10.761 3.788 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.576 4.786 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.925 3.275 4.201 1.00 0.00 H new ATOM 522 N THR A 39 -7.742 4.590 4.359 1.00 0.00 N ATOM 523 CA THR A 39 -6.418 5.172 4.177 1.00 0.00 C ATOM 524 C THR A 39 -5.336 4.099 4.214 1.00 0.00 C ATOM 525 O THR A 39 -5.429 3.137 4.976 1.00 0.00 O ATOM 526 CB THR A 39 -6.116 6.228 5.257 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.018 7.332 5.128 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.681 6.722 5.144 1.00 0.00 C ATOM 0 H THR A 39 -7.786 3.855 5.065 1.00 0.00 H new ATOM 0 HA THR A 39 -6.415 5.653 3.199 1.00 0.00 H new ATOM 0 HB THR A 39 -6.248 5.765 6.235 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.821 7.998 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.491 7.467 5.917 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.996 5.883 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.527 7.170 4.162 1.00 0.00 H new ATOM 536 N TRP A 40 -4.310 4.271 3.388 1.00 0.00 N ATOM 537 CA TRP A 40 -3.209 3.317 3.328 1.00 0.00 C ATOM 538 C TRP A 40 -2.051 3.765 4.213 1.00 0.00 C ATOM 539 O TRP A 40 -1.799 4.960 4.364 1.00 0.00 O ATOM 540 CB TRP A 40 -2.730 3.151 1.885 1.00 0.00 C ATOM 541 CG TRP A 40 -3.565 2.195 1.088 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.567 2.512 0.216 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.471 0.766 1.091 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.102 1.366 -0.323 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.446 0.282 0.198 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.656 -0.151 1.761 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.627 -1.078 -0.041 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.838 -1.500 1.523 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.816 -1.953 0.628 1.00 0.00 C ATOM 0 H TRP A 40 -4.218 5.062 2.751 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.572 2.357 3.696 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.736 4.124 1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.697 2.803 1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.892 3.516 -0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.863 1.329 -1.001 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.898 0.188 2.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.381 -1.429 -0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.215 -2.218 2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.932 -3.014 0.463 1.00 0.00 H new ATOM 560 N PHE A 41 -1.350 2.799 4.796 1.00 0.00 N ATOM 561 CA PHE A 41 -0.218 3.094 5.667 1.00 0.00 C ATOM 562 C PHE A 41 1.048 2.404 5.168 1.00 0.00 C ATOM 563 O PHE A 41 0.982 1.423 4.425 1.00 0.00 O ATOM 564 CB PHE A 41 -0.522 2.654 7.101 1.00 0.00 C ATOM 565 CG PHE A 41 -1.175 3.722 7.930 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.519 4.018 7.769 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.446 4.429 8.872 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.123 5.000 8.531 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.044 5.413 9.637 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.384 5.698 9.467 1.00 0.00 C ATOM 0 H PHE A 41 -1.546 1.805 4.681 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.052 4.171 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.171 1.779 7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.406 2.348 7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.101 3.475 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.602 4.209 9.010 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.171 5.222 8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.464 5.958 10.367 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.854 6.465 10.065 1.00 0.00 H new ATOM 580 N LEU A 42 2.199 2.922 5.581 1.00 0.00 N ATOM 581 CA LEU A 42 3.481 2.357 5.176 1.00 0.00 C ATOM 582 C LEU A 42 4.522 2.522 6.280 1.00 0.00 C ATOM 583 O LEU A 42 5.021 3.621 6.516 1.00 0.00 O ATOM 584 CB LEU A 42 3.973 3.025 3.891 1.00 0.00 C ATOM 585 CG LEU A 42 5.395 2.672 3.453 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.508 1.185 3.156 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.797 3.492 2.236 1.00 0.00 C ATOM 0 H LEU A 42 2.271 3.732 6.196 1.00 0.00 H new ATOM 0 HA LEU A 42 3.339 1.292 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.290 2.762 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.912 4.106 4.021 1.00 0.00 H new ATOM 0 HG LEU A 42 6.076 2.912 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.527 0.952 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.262 0.615 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.816 0.920 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.812 3.228 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.112 3.284 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.756 4.553 2.482 1.00 0.00 H new ATOM 599 N ASN A 43 4.845 1.421 6.951 1.00 0.00 N ATOM 600 CA ASN A 43 5.828 1.444 8.028 1.00 0.00 C ATOM 601 C ASN A 43 5.363 2.343 9.170 1.00 0.00 C ATOM 602 O ASN A 43 6.130 3.152 9.688 1.00 0.00 O ATOM 603 CB ASN A 43 7.181 1.927 7.502 1.00 0.00 C ATOM 604 CG ASN A 43 8.048 0.787 7.004 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.530 -0.030 7.788 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.250 0.728 5.693 1.00 0.00 N ATOM 0 H ASN A 43 4.441 0.503 6.768 1.00 0.00 H new ATOM 0 HA ASN A 43 5.936 0.429 8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.020 2.638 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.706 2.460 8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.825 -0.017 5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.830 1.427 5.080 1.00 0.00 H new ATOM 613 N GLY A 44 4.099 2.193 9.557 1.00 0.00 N ATOM 614 CA GLY A 44 3.553 2.997 10.634 1.00 0.00 C ATOM 615 C GLY A 44 3.103 4.367 10.166 1.00 0.00 C ATOM 616 O GLY A 44 2.172 4.945 10.724 1.00 0.00 O ATOM 0 H GLY A 44 3.444 1.529 9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.708 2.474 11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.305 3.112 11.414 1.00 0.00 H new ATOM 620 N GLU A 45 3.767 4.886 9.138 1.00 0.00 N ATOM 621 CA GLU A 45 3.431 6.198 8.597 1.00 0.00 C ATOM 622 C GLU A 45 2.175 6.124 7.734 1.00 0.00 C ATOM 623 O GLU A 45 1.756 5.044 7.320 1.00 0.00 O ATOM 624 CB GLU A 45 4.597 6.749 7.773 1.00 0.00 C ATOM 625 CG GLU A 45 5.599 7.544 8.593 1.00 0.00 C ATOM 626 CD GLU A 45 6.861 7.869 7.817 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.895 8.928 7.156 1.00 0.00 O ATOM 628 OE2 GLU A 45 7.814 7.063 7.871 1.00 0.00 O ATOM 0 H GLU A 45 4.540 4.419 8.664 1.00 0.00 H new ATOM 0 HA GLU A 45 3.238 6.869 9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.113 5.920 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.202 7.385 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.134 8.471 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.862 6.978 9.487 1.00 0.00 H new ATOM 635 N GLU A 46 1.578 7.282 7.467 1.00 0.00 N ATOM 636 CA GLU A 46 0.369 7.349 6.654 1.00 0.00 C ATOM 637 C GLU A 46 0.677 7.896 5.264 1.00 0.00 C ATOM 638 O GLU A 46 1.522 8.778 5.105 1.00 0.00 O ATOM 639 CB GLU A 46 -0.683 8.224 7.338 1.00 0.00 C ATOM 640 CG GLU A 46 -2.048 8.167 6.672 1.00 0.00 C ATOM 641 CD GLU A 46 -2.908 9.372 7.000 1.00 0.00 C ATOM 642 OE1 GLU A 46 -2.651 10.456 6.436 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.839 9.230 7.820 1.00 0.00 O ATOM 0 H GLU A 46 1.912 8.186 7.802 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.023 6.338 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.782 7.913 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.335 9.257 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.919 8.101 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.564 7.260 6.987 1.00 0.00 H new ATOM 650 N LEU A 47 -0.013 7.367 4.260 1.00 0.00 N ATOM 651 CA LEU A 47 0.186 7.802 2.882 1.00 0.00 C ATOM 652 C LEU A 47 -0.900 8.786 2.459 1.00 0.00 C ATOM 653 O LEU A 47 -1.996 8.798 3.020 1.00 0.00 O ATOM 654 CB LEU A 47 0.191 6.595 1.941 1.00 0.00 C ATOM 655 CG LEU A 47 1.287 5.558 2.186 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.883 4.209 1.613 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.605 6.022 1.583 1.00 0.00 C ATOM 0 H LEU A 47 -0.715 6.636 4.374 1.00 0.00 H new ATOM 0 HA LEU A 47 1.151 8.306 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.776 6.097 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.284 6.958 0.917 1.00 0.00 H new ATOM 0 HG LEU A 47 1.422 5.447 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.675 3.484 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.036 3.871 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.720 4.304 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.374 5.271 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.484 6.162 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.902 6.966 2.041 1.00 0.00 H new ATOM 669 N LYS A 48 -0.589 9.611 1.464 1.00 0.00 N ATOM 670 CA LYS A 48 -1.538 10.597 0.962 1.00 0.00 C ATOM 671 C LYS A 48 -1.731 10.450 -0.544 1.00 0.00 C ATOM 672 O LYS A 48 -0.762 10.332 -1.294 1.00 0.00 O ATOM 673 CB LYS A 48 -1.056 12.012 1.289 1.00 0.00 C ATOM 674 CG LYS A 48 0.353 12.302 0.802 1.00 0.00 C ATOM 675 CD LYS A 48 1.397 11.825 1.798 1.00 0.00 C ATOM 676 CE LYS A 48 2.715 11.503 1.111 1.00 0.00 C ATOM 677 NZ LYS A 48 3.511 12.730 0.833 1.00 0.00 N ATOM 0 H LYS A 48 0.314 9.616 0.989 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.496 10.424 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.741 12.733 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.096 12.160 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.515 11.813 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.469 13.373 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.558 12.593 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.029 10.939 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.296 10.828 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.518 10.978 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.402 12.467 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.967 13.363 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.721 13.218 1.727 1.00 0.00 H new ATOM 691 N SER A 49 -2.987 10.459 -0.979 1.00 0.00 N ATOM 692 CA SER A 49 -3.306 10.324 -2.395 1.00 0.00 C ATOM 693 C SER A 49 -3.404 11.692 -3.063 1.00 0.00 C ATOM 694 O SER A 49 -4.490 12.256 -3.191 1.00 0.00 O ATOM 695 CB SER A 49 -4.620 9.561 -2.573 1.00 0.00 C ATOM 696 OG SER A 49 -4.704 8.984 -3.865 1.00 0.00 O ATOM 0 H SER A 49 -3.800 10.558 -0.371 1.00 0.00 H new ATOM 0 HA SER A 49 -2.502 9.764 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.696 8.780 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.461 10.237 -2.418 1.00 0.00 H new ATOM 0 HG SER A 49 -5.552 8.501 -3.953 1.00 0.00 H new ATOM 702 N ASN A 50 -2.260 12.220 -3.487 1.00 0.00 N ATOM 703 CA ASN A 50 -2.215 13.523 -4.141 1.00 0.00 C ATOM 704 C ASN A 50 -0.977 13.646 -5.024 1.00 0.00 C ATOM 705 O ASN A 50 0.066 13.062 -4.732 1.00 0.00 O ATOM 706 CB ASN A 50 -2.224 14.641 -3.097 1.00 0.00 C ATOM 707 CG ASN A 50 -3.614 14.915 -2.555 1.00 0.00 C ATOM 708 OD1 ASN A 50 -4.137 14.151 -1.743 1.00 0.00 O ATOM 709 ND2 ASN A 50 -4.218 16.009 -3.002 1.00 0.00 N ATOM 0 H ASN A 50 -1.352 11.766 -3.389 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.099 13.616 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.563 14.371 -2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.824 15.552 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.154 16.246 -2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.746 16.613 -3.675 1.00 0.00 H new ATOM 716 N GLU A 51 -1.102 14.409 -6.105 1.00 0.00 N ATOM 717 CA GLU A 51 0.007 14.608 -7.031 1.00 0.00 C ATOM 718 C GLU A 51 1.335 14.678 -6.282 1.00 0.00 C ATOM 719 O GLU A 51 1.489 15.415 -5.308 1.00 0.00 O ATOM 720 CB GLU A 51 -0.201 15.888 -7.843 1.00 0.00 C ATOM 721 CG GLU A 51 -0.254 17.147 -6.993 1.00 0.00 C ATOM 722 CD GLU A 51 -0.462 18.401 -7.819 1.00 0.00 C ATOM 723 OE1 GLU A 51 -1.607 18.639 -8.258 1.00 0.00 O ATOM 724 OE2 GLU A 51 0.520 19.144 -8.028 1.00 0.00 O ATOM 0 H GLU A 51 -1.959 14.899 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 51 0.037 13.756 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.607 15.983 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.129 15.803 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.062 17.057 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.674 17.239 -6.428 1.00 0.00 H new ATOM 731 N PRO A 52 2.317 13.892 -6.747 1.00 0.00 N ATOM 732 CA PRO A 52 3.650 13.846 -6.137 1.00 0.00 C ATOM 733 C PRO A 52 4.437 15.132 -6.365 1.00 0.00 C ATOM 734 O PRO A 52 5.608 15.226 -6.000 1.00 0.00 O ATOM 735 CB PRO A 52 4.325 12.671 -6.849 1.00 0.00 C ATOM 736 CG PRO A 52 3.625 12.570 -8.160 1.00 0.00 C ATOM 737 CD PRO A 52 2.204 12.988 -7.904 1.00 0.00 C ATOM 0 HA PRO A 52 3.599 13.733 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.392 12.849 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.225 11.750 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.094 13.215 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.669 11.552 -8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.772 13.493 -8.768 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.567 12.132 -7.684 1.00 0.00 H new ATOM 745 N GLU A 53 3.785 16.119 -6.972 1.00 0.00 N ATOM 746 CA GLU A 53 4.426 17.399 -7.249 1.00 0.00 C ATOM 747 C GLU A 53 4.522 18.245 -5.982 1.00 0.00 C ATOM 748 O GLU A 53 3.631 19.039 -5.684 1.00 0.00 O ATOM 749 CB GLU A 53 3.651 18.161 -8.326 1.00 0.00 C ATOM 750 CG GLU A 53 3.878 17.628 -9.730 1.00 0.00 C ATOM 751 CD GLU A 53 3.799 16.115 -9.801 1.00 0.00 C ATOM 752 OE1 GLU A 53 2.700 15.567 -9.572 1.00 0.00 O ATOM 753 OE2 GLU A 53 4.836 15.480 -10.084 1.00 0.00 O ATOM 0 H GLU A 53 2.815 16.057 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 53 5.435 17.200 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.586 18.115 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.939 19.212 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.136 18.059 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.856 17.954 -10.084 1.00 0.00 H new ATOM 760 N GLY A 54 5.611 18.067 -5.240 1.00 0.00 N ATOM 761 CA GLY A 54 5.804 18.819 -4.014 1.00 0.00 C ATOM 762 C GLY A 54 7.209 18.680 -3.463 1.00 0.00 C ATOM 763 O GLY A 54 8.113 19.415 -3.860 1.00 0.00 O ATOM 0 H GLY A 54 6.363 17.416 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.593 19.872 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.088 18.478 -3.266 1.00 0.00 H new ATOM 767 N GLN A 55 7.393 17.736 -2.546 1.00 0.00 N ATOM 768 CA GLN A 55 8.698 17.505 -1.938 1.00 0.00 C ATOM 769 C GLN A 55 9.358 16.260 -2.522 1.00 0.00 C ATOM 770 O GLN A 55 10.433 16.335 -3.117 1.00 0.00 O ATOM 771 CB GLN A 55 8.560 17.361 -0.422 1.00 0.00 C ATOM 772 CG GLN A 55 8.607 18.686 0.322 1.00 0.00 C ATOM 773 CD GLN A 55 9.984 19.318 0.302 1.00 0.00 C ATOM 774 OE1 GLN A 55 10.999 18.628 0.400 1.00 0.00 O ATOM 775 NE2 GLN A 55 10.027 20.639 0.174 1.00 0.00 N ATOM 0 H GLN A 55 6.655 17.119 -2.208 1.00 0.00 H new ATOM 0 HA GLN A 55 9.330 18.365 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.618 16.861 -0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.359 16.718 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.889 19.374 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.298 18.529 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.161 21.172 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.926 21.120 0.154 1.00 0.00 H new ATOM 784 N VAL A 56 8.707 15.115 -2.347 1.00 0.00 N ATOM 785 CA VAL A 56 9.229 13.853 -2.857 1.00 0.00 C ATOM 786 C VAL A 56 8.889 13.673 -4.332 1.00 0.00 C ATOM 787 O VAL A 56 7.719 13.680 -4.714 1.00 0.00 O ATOM 788 CB VAL A 56 8.675 12.654 -2.064 1.00 0.00 C ATOM 789 CG1 VAL A 56 9.186 11.346 -2.647 1.00 0.00 C ATOM 790 CG2 VAL A 56 9.046 12.772 -0.593 1.00 0.00 C ATOM 0 H VAL A 56 7.817 15.035 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 56 10.312 13.888 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 56 7.588 12.659 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.784 10.511 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.866 11.261 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.275 11.328 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.647 11.917 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.131 12.793 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.626 13.691 -0.184 1.00 0.00 H new ATOM 800 N GLU A 57 9.919 13.511 -5.156 1.00 0.00 N ATOM 801 CA GLU A 57 9.728 13.329 -6.590 1.00 0.00 C ATOM 802 C GLU A 57 9.047 11.995 -6.884 1.00 0.00 C ATOM 803 O GLU A 57 9.205 11.015 -6.156 1.00 0.00 O ATOM 804 CB GLU A 57 11.072 13.399 -7.319 1.00 0.00 C ATOM 805 CG GLU A 57 12.108 12.427 -6.780 1.00 0.00 C ATOM 806 CD GLU A 57 13.086 11.969 -7.844 1.00 0.00 C ATOM 807 OE1 GLU A 57 13.310 12.728 -8.810 1.00 0.00 O ATOM 808 OE2 GLU A 57 13.628 10.851 -7.712 1.00 0.00 O ATOM 0 H GLU A 57 10.894 13.502 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 57 9.085 14.132 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.912 13.196 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.464 14.413 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.657 12.901 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.602 11.558 -6.359 1.00 0.00 H new ATOM 815 N PRO A 58 8.269 11.956 -7.976 1.00 0.00 N ATOM 816 CA PRO A 58 7.548 10.750 -8.391 1.00 0.00 C ATOM 817 C PRO A 58 8.486 9.660 -8.900 1.00 0.00 C ATOM 818 O PRO A 58 8.061 8.535 -9.163 1.00 0.00 O ATOM 819 CB PRO A 58 6.644 11.248 -9.522 1.00 0.00 C ATOM 820 CG PRO A 58 7.340 12.450 -10.061 1.00 0.00 C ATOM 821 CD PRO A 58 8.035 13.087 -8.890 1.00 0.00 C ATOM 0 HA PRO A 58 7.006 10.294 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.516 10.486 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.649 11.499 -9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.055 12.172 -10.835 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.630 13.141 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.969 13.563 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.418 13.857 -8.427 1.00 0.00 H new ATOM 829 N GLY A 59 9.763 10.001 -9.037 1.00 0.00 N ATOM 830 CA GLY A 59 10.741 9.040 -9.513 1.00 0.00 C ATOM 831 C GLY A 59 11.312 8.190 -8.395 1.00 0.00 C ATOM 832 O GLY A 59 11.492 6.984 -8.555 1.00 0.00 O ATOM 0 H GLY A 59 10.138 10.926 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.277 8.392 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.552 9.569 -10.013 1.00 0.00 H new ATOM 836 N ALA A 60 11.598 8.822 -7.261 1.00 0.00 N ATOM 837 CA ALA A 60 12.151 8.115 -6.113 1.00 0.00 C ATOM 838 C ALA A 60 11.216 7.004 -5.649 1.00 0.00 C ATOM 839 O ALA A 60 11.554 5.822 -5.726 1.00 0.00 O ATOM 840 CB ALA A 60 12.422 9.089 -4.975 1.00 0.00 C ATOM 0 H ALA A 60 11.456 9.821 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 60 13.092 7.657 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.835 8.548 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.135 9.845 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.491 9.573 -4.680 1.00 0.00 H new ATOM 846 N LEU A 61 10.039 7.389 -5.168 1.00 0.00 N ATOM 847 CA LEU A 61 9.054 6.425 -4.691 1.00 0.00 C ATOM 848 C LEU A 61 7.845 6.377 -5.619 1.00 0.00 C ATOM 849 O LEU A 61 7.211 7.399 -5.881 1.00 0.00 O ATOM 850 CB LEU A 61 8.609 6.781 -3.271 1.00 0.00 C ATOM 851 CG LEU A 61 7.400 6.013 -2.735 1.00 0.00 C ATOM 852 CD1 LEU A 61 7.383 6.039 -1.215 1.00 0.00 C ATOM 853 CD2 LEU A 61 6.109 6.593 -3.294 1.00 0.00 C ATOM 0 H LEU A 61 9.744 8.363 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 61 9.521 5.440 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.449 6.615 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.381 7.846 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 61 7.480 4.976 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.516 5.488 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.293 5.577 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.328 7.071 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.259 6.034 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.023 7.639 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.119 6.522 -4.382 1.00 0.00 H new ATOM 865 N ARG A 62 7.530 5.184 -6.111 1.00 0.00 N ATOM 866 CA ARG A 62 6.395 5.003 -7.009 1.00 0.00 C ATOM 867 C ARG A 62 5.314 4.148 -6.354 1.00 0.00 C ATOM 868 O ARG A 62 5.567 3.012 -5.950 1.00 0.00 O ATOM 869 CB ARG A 62 6.852 4.353 -8.317 1.00 0.00 C ATOM 870 CG ARG A 62 7.716 5.260 -9.178 1.00 0.00 C ATOM 871 CD ARG A 62 6.871 6.211 -10.009 1.00 0.00 C ATOM 872 NE ARG A 62 5.998 5.498 -10.939 1.00 0.00 N ATOM 873 CZ ARG A 62 5.488 6.047 -12.036 1.00 0.00 C ATOM 874 NH1 ARG A 62 5.763 7.308 -12.339 1.00 0.00 N ATOM 875 NH2 ARG A 62 4.703 5.333 -12.832 1.00 0.00 N ATOM 0 H ARG A 62 8.044 4.328 -5.903 1.00 0.00 H new ATOM 0 HA ARG A 62 5.975 5.985 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.410 3.445 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.975 4.051 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.391 5.833 -8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.337 4.654 -9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.266 6.831 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.524 6.883 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 62 5.768 4.526 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.367 7.859 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.370 7.727 -13.182 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.491 4.362 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.312 5.755 -13.674 1.00 0.00 H new ATOM 889 N TYR A 63 4.111 4.701 -6.252 1.00 0.00 N ATOM 890 CA TYR A 63 2.993 3.991 -5.643 1.00 0.00 C ATOM 891 C TYR A 63 1.704 4.232 -6.424 1.00 0.00 C ATOM 892 O TYR A 63 1.454 5.338 -6.903 1.00 0.00 O ATOM 893 CB TYR A 63 2.811 4.432 -4.190 1.00 0.00 C ATOM 894 CG TYR A 63 2.380 5.874 -4.044 1.00 0.00 C ATOM 895 CD1 TYR A 63 3.177 6.909 -4.517 1.00 0.00 C ATOM 896 CD2 TYR A 63 1.176 6.201 -3.433 1.00 0.00 C ATOM 897 CE1 TYR A 63 2.788 8.228 -4.385 1.00 0.00 C ATOM 898 CE2 TYR A 63 0.778 7.517 -3.298 1.00 0.00 C ATOM 899 CZ TYR A 63 1.587 8.526 -3.776 1.00 0.00 C ATOM 900 OH TYR A 63 1.195 9.839 -3.642 1.00 0.00 O ATOM 0 H TYR A 63 3.885 5.639 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 63 3.218 2.925 -5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.069 3.790 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.749 4.286 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.117 6.678 -4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.540 5.413 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.420 9.021 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.161 7.754 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 63 0.579 9.921 -2.884 1.00 0.00 H new ATOM 910 N ARG A 64 0.891 3.188 -6.548 1.00 0.00 N ATOM 911 CA ARG A 64 -0.371 3.285 -7.271 1.00 0.00 C ATOM 912 C ARG A 64 -1.503 2.640 -6.477 1.00 0.00 C ATOM 913 O ARG A 64 -1.487 1.435 -6.221 1.00 0.00 O ATOM 914 CB ARG A 64 -0.251 2.617 -8.642 1.00 0.00 C ATOM 915 CG ARG A 64 -1.357 3.007 -9.609 1.00 0.00 C ATOM 916 CD ARG A 64 -1.278 2.205 -10.898 1.00 0.00 C ATOM 917 NE ARG A 64 -1.911 2.901 -12.015 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.623 2.660 -13.290 1.00 0.00 C ATOM 919 NH1 ARG A 64 -0.717 1.745 -13.606 1.00 0.00 N ATOM 920 NH2 ARG A 64 -2.241 3.335 -14.250 1.00 0.00 N ATOM 0 H ARG A 64 1.084 2.266 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.602 4.341 -7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.712 2.878 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.259 1.535 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.327 2.846 -9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.285 4.071 -9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.233 2.008 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.760 1.238 -10.753 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.613 3.611 -11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.240 1.225 -12.870 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.497 1.562 -14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.938 4.040 -14.010 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.019 3.149 -15.228 1.00 0.00 H new ATOM 934 N ILE A 65 -2.483 3.449 -6.090 1.00 0.00 N ATOM 935 CA ILE A 65 -3.623 2.957 -5.325 1.00 0.00 C ATOM 936 C ILE A 65 -4.833 2.733 -6.226 1.00 0.00 C ATOM 937 O ILE A 65 -5.259 3.636 -6.945 1.00 0.00 O ATOM 938 CB ILE A 65 -4.009 3.933 -4.198 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.833 4.131 -3.240 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.230 3.421 -3.449 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.909 5.417 -2.447 1.00 0.00 C ATOM 0 H ILE A 65 -2.511 4.448 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.321 2.007 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.258 4.897 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.792 3.289 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.904 4.120 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.490 4.122 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.068 3.327 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.008 2.447 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.043 5.490 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.918 6.266 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.820 5.422 -1.849 1.00 0.00 H new ATOM 953 N GLU A 66 -5.384 1.524 -6.179 1.00 0.00 N ATOM 954 CA GLU A 66 -6.546 1.182 -6.990 1.00 0.00 C ATOM 955 C GLU A 66 -7.745 0.845 -6.108 1.00 0.00 C ATOM 956 O GLU A 66 -7.614 0.134 -5.112 1.00 0.00 O ATOM 957 CB GLU A 66 -6.226 0.001 -7.908 1.00 0.00 C ATOM 958 CG GLU A 66 -5.161 0.309 -8.947 1.00 0.00 C ATOM 959 CD GLU A 66 -5.201 -0.645 -10.125 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.275 -1.229 -10.379 1.00 0.00 O ATOM 961 OE2 GLU A 66 -4.158 -0.807 -10.792 1.00 0.00 O ATOM 0 H GLU A 66 -5.044 0.765 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.798 2.049 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.896 -0.842 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.138 -0.311 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.294 1.329 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.178 0.261 -8.479 1.00 0.00 H new ATOM 968 N GLN A 67 -8.911 1.360 -6.482 1.00 0.00 N ATOM 969 CA GLN A 67 -10.133 1.115 -5.724 1.00 0.00 C ATOM 970 C GLN A 67 -11.275 0.708 -6.650 1.00 0.00 C ATOM 971 O GLN A 67 -11.781 1.521 -7.423 1.00 0.00 O ATOM 972 CB GLN A 67 -10.524 2.361 -4.929 1.00 0.00 C ATOM 973 CG GLN A 67 -11.821 2.205 -4.152 1.00 0.00 C ATOM 974 CD GLN A 67 -11.871 0.918 -3.351 1.00 0.00 C ATOM 975 OE1 GLN A 67 -10.836 0.370 -2.970 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.077 0.428 -3.092 1.00 0.00 N ATOM 0 H GLN A 67 -9.036 1.949 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.942 0.296 -5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.721 2.605 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.620 3.204 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.940 3.053 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.661 2.229 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.908 0.915 -3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.173 -0.436 -2.558 1.00 0.00 H new ATOM 985 N LYS A 68 -11.676 -0.556 -6.566 1.00 0.00 N ATOM 986 CA LYS A 68 -12.759 -1.071 -7.395 1.00 0.00 C ATOM 987 C LYS A 68 -13.783 -1.821 -6.548 1.00 0.00 C ATOM 988 O LYS A 68 -13.791 -3.050 -6.509 1.00 0.00 O ATOM 989 CB LYS A 68 -12.203 -1.997 -8.479 1.00 0.00 C ATOM 990 CG LYS A 68 -11.867 -1.282 -9.776 1.00 0.00 C ATOM 991 CD LYS A 68 -11.910 -2.229 -10.963 1.00 0.00 C ATOM 992 CE LYS A 68 -13.256 -2.176 -11.669 1.00 0.00 C ATOM 993 NZ LYS A 68 -14.221 -3.157 -11.099 1.00 0.00 N ATOM 0 H LYS A 68 -11.267 -1.243 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.255 -0.224 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.306 -2.487 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.932 -2.781 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.571 -0.466 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.875 -0.837 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.119 -1.969 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.715 -3.247 -10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.669 -1.171 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.117 -2.378 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.047 -3.236 -11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.761 -4.086 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.530 -2.835 -10.160 1.00 0.00 H new ATOM 1007 N GLY A 69 -14.647 -1.070 -5.871 1.00 0.00 N ATOM 1008 CA GLY A 69 -15.664 -1.682 -5.035 1.00 0.00 C ATOM 1009 C GLY A 69 -15.077 -2.624 -4.003 1.00 0.00 C ATOM 1010 O GLY A 69 -14.559 -3.688 -4.346 1.00 0.00 O ATOM 0 H GLY A 69 -14.661 -0.050 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.232 -0.901 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.366 -2.229 -5.664 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.156 -2.234 -2.735 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.626 -3.051 -1.649 1.00 0.00 C ATOM 1016 C LEU A 70 -13.386 -3.817 -2.099 1.00 0.00 C ATOM 1017 O LEU A 70 -13.179 -4.965 -1.707 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.693 -4.030 -1.154 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.701 -4.508 -2.199 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.127 -5.940 -1.914 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -17.911 -3.586 -2.234 1.00 0.00 C ATOM 0 H LEU A 70 -15.582 -1.357 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.343 -2.387 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.191 -4.903 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.241 -3.557 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.221 -4.482 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.845 -6.263 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.254 -6.592 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.588 -5.993 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.618 -3.942 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.392 -3.580 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.591 -2.575 -2.488 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.564 -3.173 -2.921 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.344 -3.793 -3.422 1.00 0.00 C ATOM 1035 C GLN A 71 -10.226 -2.765 -3.557 1.00 0.00 C ATOM 1036 O GLN A 71 -10.241 -1.932 -4.464 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.604 -4.462 -4.773 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.679 -5.634 -5.059 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.065 -6.387 -6.318 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.001 -6.006 -7.021 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.342 -7.463 -6.609 1.00 0.00 N ATOM 0 H GLN A 71 -12.721 -2.222 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.031 -4.551 -2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.637 -4.809 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.492 -3.720 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.656 -5.270 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.694 -6.319 -4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.575 -7.742 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.554 -8.010 -7.444 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.257 -2.828 -2.650 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.130 -1.902 -2.668 1.00 0.00 C ATOM 1052 C HIS A 72 -6.838 -2.626 -3.033 1.00 0.00 C ATOM 1053 O HIS A 72 -6.608 -3.758 -2.608 1.00 0.00 O ATOM 1054 CB HIS A 72 -7.980 -1.220 -1.308 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.164 -0.387 -0.922 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.168 0.990 -0.989 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.386 -0.744 -0.464 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.342 1.444 -0.587 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.100 0.412 -0.264 1.00 0.00 N ATOM 0 H HIS A 72 -9.229 -3.511 -1.893 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.327 -1.144 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.817 -1.981 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.091 -0.589 -1.323 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.735 -1.751 -0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.632 2.483 -0.532 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.059 0.465 0.078 1.00 0.00 H new ATOM 1067 N ARG A 73 -5.997 -1.965 -3.822 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.729 -2.546 -4.245 1.00 0.00 C ATOM 1069 C ARG A 73 -3.634 -1.485 -4.296 1.00 0.00 C ATOM 1070 O ARG A 73 -3.701 -0.546 -5.091 1.00 0.00 O ATOM 1071 CB ARG A 73 -4.878 -3.205 -5.618 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.960 -4.399 -5.824 1.00 0.00 C ATOM 1073 CD ARG A 73 -3.915 -4.822 -7.284 1.00 0.00 C ATOM 1074 NE ARG A 73 -5.237 -5.175 -7.792 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.567 -5.127 -9.078 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.674 -4.745 -9.981 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -6.791 -5.464 -9.464 1.00 0.00 N ATOM 0 H ARG A 73 -6.171 -1.026 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.444 -3.303 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.912 -3.526 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.675 -2.464 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.955 -4.149 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.304 -5.233 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.501 -4.011 -7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.245 -5.675 -7.394 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.946 -5.475 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.731 -4.487 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.930 -4.709 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.480 -5.760 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.043 -5.427 -10.452 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.628 -1.639 -3.442 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.518 -0.694 -3.389 1.00 0.00 C ATOM 1093 C LEU A 74 -0.262 -1.293 -4.013 1.00 0.00 C ATOM 1094 O LEU A 74 0.343 -2.210 -3.457 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.238 -0.288 -1.941 1.00 0.00 C ATOM 1096 CG LEU A 74 0.078 0.450 -1.694 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.119 1.952 -1.827 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.634 0.104 -0.320 1.00 0.00 C ATOM 0 H LEU A 74 -2.558 -2.409 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.798 0.191 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.056 0.345 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.249 -1.187 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 74 0.798 0.130 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.828 2.460 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.472 2.185 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.855 2.288 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.571 0.638 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.084 0.395 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.814 -0.969 -0.260 1.00 0.00 H new ATOM 1110 N ILE A 75 0.126 -0.767 -5.170 1.00 0.00 N ATOM 1111 CA ILE A 75 1.312 -1.247 -5.868 1.00 0.00 C ATOM 1112 C ILE A 75 2.471 -0.267 -5.722 1.00 0.00 C ATOM 1113 O ILE A 75 2.296 0.944 -5.861 1.00 0.00 O ATOM 1114 CB ILE A 75 1.031 -1.473 -7.365 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.180 -2.390 -7.547 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.255 -2.061 -8.051 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.493 -1.645 -7.638 1.00 0.00 C ATOM 0 H ILE A 75 -0.364 -0.008 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 75 1.584 -2.198 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 75 0.807 -0.511 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.044 -2.983 -8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.225 -3.089 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.041 -2.215 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.095 -1.374 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.507 -3.016 -7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.308 -2.358 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.651 -1.074 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.468 -0.966 -8.490 1.00 0.00 H new ATOM 1129 N LEU A 76 3.656 -0.798 -5.441 1.00 0.00 N ATOM 1130 CA LEU A 76 4.846 0.029 -5.277 1.00 0.00 C ATOM 1131 C LEU A 76 5.984 -0.474 -6.159 1.00 0.00 C ATOM 1132 O LEU A 76 6.699 -1.409 -5.795 1.00 0.00 O ATOM 1133 CB LEU A 76 5.286 0.040 -3.813 1.00 0.00 C ATOM 1134 CG LEU A 76 4.195 0.346 -2.786 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.543 -0.268 -1.439 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.995 1.849 -2.653 1.00 0.00 C ATOM 0 H LEU A 76 3.818 -1.798 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 76 4.597 1.045 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.717 -0.933 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.081 0.777 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 76 3.261 -0.096 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.755 -0.040 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.636 -1.349 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.488 0.144 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.215 2.049 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.927 2.313 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.700 2.263 -3.617 1.00 0.00 H new ATOM 1148 N HIS A 77 6.149 0.154 -7.319 1.00 0.00 N ATOM 1149 CA HIS A 77 7.204 -0.229 -8.252 1.00 0.00 C ATOM 1150 C HIS A 77 8.562 0.275 -7.773 1.00 0.00 C ATOM 1151 O HIS A 77 8.701 1.432 -7.377 1.00 0.00 O ATOM 1152 CB HIS A 77 6.905 0.323 -9.646 1.00 0.00 C ATOM 1153 CG HIS A 77 5.441 0.443 -9.942 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.743 -0.492 -10.677 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.543 1.394 -9.596 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.479 -0.120 -10.772 1.00 0.00 C ATOM 1157 NE2 HIS A 77 3.331 1.021 -10.123 1.00 0.00 N ATOM 0 H HIS A 77 5.567 0.929 -7.635 1.00 0.00 H new ATOM 0 HA HIS A 77 7.236 -1.317 -8.299 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.369 1.304 -9.746 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.366 -0.325 -10.391 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.742 2.281 -9.014 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.699 -0.657 -11.292 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.458 1.541 -10.029 1.00 0.00 H new ATOM 1166 N ALA A 78 9.560 -0.601 -7.812 1.00 0.00 N ATOM 1167 CA ALA A 78 10.907 -0.245 -7.384 1.00 0.00 C ATOM 1168 C ALA A 78 10.997 -0.170 -5.863 1.00 0.00 C ATOM 1169 O ALA A 78 11.408 0.847 -5.305 1.00 0.00 O ATOM 1170 CB ALA A 78 11.325 1.080 -8.005 1.00 0.00 C ATOM 0 H ALA A 78 9.461 -1.563 -8.136 1.00 0.00 H new ATOM 0 HA ALA A 78 11.588 -1.025 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.333 1.334 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.308 0.994 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.634 1.863 -7.692 1.00 0.00 H new ATOM 1176 N VAL A 79 10.611 -1.254 -5.198 1.00 0.00 N ATOM 1177 CA VAL A 79 10.649 -1.312 -3.742 1.00 0.00 C ATOM 1178 C VAL A 79 12.079 -1.453 -3.235 1.00 0.00 C ATOM 1179 O VAL A 79 12.778 -2.410 -3.571 1.00 0.00 O ATOM 1180 CB VAL A 79 9.807 -2.484 -3.204 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.330 -2.258 -3.494 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.281 -3.799 -3.805 1.00 0.00 C ATOM 0 H VAL A 79 10.268 -2.104 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 79 10.228 -0.375 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 79 9.937 -2.536 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.751 -3.096 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.002 -1.337 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.179 -2.179 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.675 -4.617 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.182 -3.760 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.326 -3.964 -3.542 1.00 0.00 H new ATOM 1192 N LYS A 80 12.511 -0.495 -2.422 1.00 0.00 N ATOM 1193 CA LYS A 80 13.858 -0.512 -1.865 1.00 0.00 C ATOM 1194 C LYS A 80 13.943 -1.463 -0.676 1.00 0.00 C ATOM 1195 O LYS A 80 12.964 -1.663 0.043 1.00 0.00 O ATOM 1196 CB LYS A 80 14.272 0.898 -1.436 1.00 0.00 C ATOM 1197 CG LYS A 80 14.586 1.821 -2.600 1.00 0.00 C ATOM 1198 CD LYS A 80 13.330 2.479 -3.145 1.00 0.00 C ATOM 1199 CE LYS A 80 12.906 3.665 -2.291 1.00 0.00 C ATOM 1200 NZ LYS A 80 12.107 3.240 -1.109 1.00 0.00 N ATOM 0 H LYS A 80 11.946 0.304 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 80 14.540 -0.865 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.471 1.337 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.148 0.830 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.289 2.589 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.074 1.255 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.507 2.811 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.522 1.748 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.791 4.206 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.320 4.357 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.338 3.921 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.703 2.298 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.721 3.204 -0.270 1.00 0.00 H new ATOM 1214 N HIS A 81 15.121 -2.046 -0.474 1.00 0.00 N ATOM 1215 CA HIS A 81 15.334 -2.975 0.630 1.00 0.00 C ATOM 1216 C HIS A 81 15.332 -2.240 1.967 1.00 0.00 C ATOM 1217 O HIS A 81 14.770 -2.722 2.950 1.00 0.00 O ATOM 1218 CB HIS A 81 16.655 -3.722 0.448 1.00 0.00 C ATOM 1219 CG HIS A 81 17.152 -4.376 1.700 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.588 -5.519 2.227 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.167 -4.042 2.531 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.234 -5.859 3.328 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.197 -4.979 3.535 1.00 0.00 N ATOM 0 H HIS A 81 15.942 -1.892 -1.060 1.00 0.00 H new ATOM 0 HA HIS A 81 14.515 -3.694 0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.530 -4.482 -0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.411 -3.024 0.088 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.796 -6.023 1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.830 -3.196 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.012 -6.712 3.953 1.00 0.00 H new ATOM 1232 N GLN A 82 15.966 -1.072 1.995 1.00 0.00 N ATOM 1233 CA GLN A 82 16.038 -0.271 3.212 1.00 0.00 C ATOM 1234 C GLN A 82 14.700 -0.275 3.946 1.00 0.00 C ATOM 1235 O GLN A 82 14.655 -0.193 5.173 1.00 0.00 O ATOM 1236 CB GLN A 82 16.447 1.164 2.880 1.00 0.00 C ATOM 1237 CG GLN A 82 15.410 1.920 2.065 1.00 0.00 C ATOM 1238 CD GLN A 82 15.652 3.416 2.055 1.00 0.00 C ATOM 1239 OE1 GLN A 82 14.800 4.198 2.479 1.00 0.00 O ATOM 1240 NE2 GLN A 82 16.819 3.824 1.570 1.00 0.00 N ATOM 0 H GLN A 82 16.437 -0.659 1.190 1.00 0.00 H new ATOM 0 HA GLN A 82 16.791 -0.713 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.631 1.704 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.387 1.147 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.417 1.548 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.418 1.719 2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.496 3.142 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.038 4.820 1.538 1.00 0.00 H new ATOM 1249 N ASP A 83 13.615 -0.369 3.186 1.00 0.00 N ATOM 1250 CA ASP A 83 12.276 -0.384 3.764 1.00 0.00 C ATOM 1251 C ASP A 83 11.803 -1.814 4.004 1.00 0.00 C ATOM 1252 O ASP A 83 10.612 -2.109 3.907 1.00 0.00 O ATOM 1253 CB ASP A 83 11.293 0.344 2.846 1.00 0.00 C ATOM 1254 CG ASP A 83 11.455 1.851 2.903 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.288 2.424 4.000 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.747 2.457 1.851 1.00 0.00 O ATOM 0 H ASP A 83 13.636 -0.436 2.168 1.00 0.00 H new ATOM 0 HA ASP A 83 12.316 0.132 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.438 0.004 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.274 0.080 3.128 1.00 0.00 H new ATOM 1261 N SER A 84 12.745 -2.699 4.315 1.00 0.00 N ATOM 1262 CA SER A 84 12.425 -4.100 4.564 1.00 0.00 C ATOM 1263 C SER A 84 11.485 -4.239 5.757 1.00 0.00 C ATOM 1264 O SER A 84 11.349 -3.321 6.565 1.00 0.00 O ATOM 1265 CB SER A 84 13.705 -4.901 4.813 1.00 0.00 C ATOM 1266 OG SER A 84 14.271 -4.580 6.072 1.00 0.00 O ATOM 0 H SER A 84 13.735 -2.471 4.401 1.00 0.00 H new ATOM 0 HA SER A 84 11.923 -4.495 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.484 -5.968 4.771 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.427 -4.694 4.023 1.00 0.00 H new ATOM 0 HG SER A 84 15.087 -5.106 6.208 1.00 0.00 H new ATOM 1272 N GLY A 85 10.837 -5.395 5.860 1.00 0.00 N ATOM 1273 CA GLY A 85 9.917 -5.635 6.957 1.00 0.00 C ATOM 1274 C GLY A 85 8.986 -4.463 7.199 1.00 0.00 C ATOM 1275 O GLY A 85 8.694 -4.120 8.345 1.00 0.00 O ATOM 0 H GLY A 85 10.932 -6.170 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.327 -6.526 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.484 -5.838 7.865 1.00 0.00 H new ATOM 1279 N ALA A 86 8.520 -3.847 6.118 1.00 0.00 N ATOM 1280 CA ALA A 86 7.616 -2.707 6.219 1.00 0.00 C ATOM 1281 C ALA A 86 6.251 -3.134 6.746 1.00 0.00 C ATOM 1282 O ALA A 86 5.967 -4.326 6.871 1.00 0.00 O ATOM 1283 CB ALA A 86 7.473 -2.026 4.866 1.00 0.00 C ATOM 0 H ALA A 86 8.753 -4.118 5.163 1.00 0.00 H new ATOM 0 HA ALA A 86 8.043 -1.997 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.796 -1.177 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.449 -1.677 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.072 -2.735 4.142 1.00 0.00 H new ATOM 1289 N LEU A 87 5.408 -2.154 7.055 1.00 0.00 N ATOM 1290 CA LEU A 87 4.071 -2.428 7.570 1.00 0.00 C ATOM 1291 C LEU A 87 3.003 -1.855 6.644 1.00 0.00 C ATOM 1292 O LEU A 87 2.735 -0.654 6.657 1.00 0.00 O ATOM 1293 CB LEU A 87 3.914 -1.842 8.973 1.00 0.00 C ATOM 1294 CG LEU A 87 3.006 -2.619 9.928 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.655 -2.884 9.282 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.665 -3.925 10.345 1.00 0.00 C ATOM 0 H LEU A 87 5.627 -1.163 6.958 1.00 0.00 H new ATOM 0 HA LEU A 87 3.941 -3.509 7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.903 -1.765 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.526 -0.828 8.880 1.00 0.00 H new ATOM 0 HG LEU A 87 2.847 -2.014 10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.022 -3.438 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.178 -1.936 9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.795 -3.469 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.005 -4.465 11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.854 -4.535 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.608 -3.712 10.848 1.00 0.00 H new ATOM 1308 N VAL A 88 2.395 -2.723 5.842 1.00 0.00 N ATOM 1309 CA VAL A 88 1.353 -2.305 4.912 1.00 0.00 C ATOM 1310 C VAL A 88 -0.033 -2.636 5.454 1.00 0.00 C ATOM 1311 O VAL A 88 -0.447 -3.794 5.463 1.00 0.00 O ATOM 1312 CB VAL A 88 1.527 -2.974 3.535 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.489 -2.454 2.553 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.935 -2.744 3.007 1.00 0.00 C ATOM 0 H VAL A 88 2.606 -3.721 5.818 1.00 0.00 H new ATOM 0 HA VAL A 88 1.447 -1.225 4.797 1.00 0.00 H new ATOM 0 HB VAL A 88 1.377 -4.047 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.628 -2.938 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.510 -2.674 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.604 -1.376 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.041 -3.223 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.116 -1.674 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.658 -3.170 3.702 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.747 -1.609 5.904 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.080 -1.811 6.442 1.00 0.00 C ATOM 1326 C GLY A 89 -3.075 -0.791 5.924 1.00 0.00 C ATOM 1327 O GLY A 89 -2.707 0.340 5.606 1.00 0.00 O ATOM 0 H GLY A 89 -0.426 -0.641 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.424 -2.813 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.042 -1.756 7.530 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.339 -1.192 5.836 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.390 -0.305 5.350 1.00 0.00 C ATOM 1333 C PHE A 90 -6.383 0.022 6.462 1.00 0.00 C ATOM 1334 O PHE A 90 -7.181 -0.824 6.864 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.122 -0.947 4.170 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.461 -0.327 3.886 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.549 0.900 3.248 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.630 -0.971 4.256 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.780 1.473 2.986 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.863 -0.403 3.997 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.938 0.820 3.360 1.00 0.00 C ATOM 0 H PHE A 90 -4.660 -2.125 6.095 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.924 0.623 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.498 -0.869 3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.258 -2.010 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.647 1.414 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.577 -1.928 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.836 2.430 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.767 -0.915 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.900 1.265 3.155 1.00 0.00 H new ATOM 1351 N SER A 91 -6.326 1.255 6.954 1.00 0.00 N ATOM 1352 CA SER A 91 -7.216 1.694 8.022 1.00 0.00 C ATOM 1353 C SER A 91 -8.448 2.391 7.451 1.00 0.00 C ATOM 1354 O SER A 91 -8.334 3.323 6.654 1.00 0.00 O ATOM 1355 CB SER A 91 -6.478 2.638 8.974 1.00 0.00 C ATOM 1356 OG SER A 91 -5.706 3.585 8.256 1.00 0.00 O ATOM 0 H SER A 91 -5.673 1.968 6.630 1.00 0.00 H new ATOM 0 HA SER A 91 -7.542 0.813 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.198 3.156 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.830 2.061 9.634 1.00 0.00 H new ATOM 0 HG SER A 91 -4.806 3.632 8.640 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.623 1.931 7.863 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.878 2.508 7.393 1.00 0.00 C ATOM 1364 C CYS A 92 -11.941 2.462 8.485 1.00 0.00 C ATOM 1365 O CYS A 92 -11.875 1.660 9.417 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.372 1.763 6.152 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.513 0.407 6.511 1.00 0.00 S ATOM 0 H CYS A 92 -9.734 1.160 8.522 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.695 3.551 7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.865 2.473 5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.512 1.367 5.613 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.711 -0.291 5.432 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.945 3.344 8.372 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.041 3.425 9.342 1.00 0.00 C ATOM 1375 C PRO A 93 -14.966 2.215 9.274 1.00 0.00 C ATOM 1376 O PRO A 93 -16.040 2.275 8.676 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.789 4.695 8.926 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.483 4.858 7.478 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.088 4.330 7.287 1.00 0.00 C ATOM 0 HA PRO A 93 -13.676 3.446 10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.861 4.596 9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.454 5.558 9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.196 4.307 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.548 5.905 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.963 3.870 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.344 5.123 7.364 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.542 1.116 9.891 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.345 -0.093 9.888 1.00 0.00 C ATOM 1389 C GLY A 94 -14.502 -1.349 9.801 1.00 0.00 C ATOM 1390 O GLY A 94 -14.979 -2.447 10.085 1.00 0.00 O ATOM 0 H GLY A 94 -13.657 1.041 10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.949 -0.127 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.036 -0.064 9.046 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.243 -1.188 9.404 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.331 -2.319 9.279 1.00 0.00 C ATOM 1396 C VAL A 95 -10.912 -1.927 9.676 1.00 0.00 C ATOM 1397 O VAL A 95 -10.485 -0.795 9.451 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.316 -2.871 7.841 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.234 -3.929 7.687 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.680 -3.434 7.472 1.00 0.00 C ATOM 0 H VAL A 95 -12.832 -0.286 9.164 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.693 -3.094 9.954 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.090 -2.052 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.238 -4.308 6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.261 -3.489 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.426 -4.749 8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.651 -3.819 6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.938 -4.241 8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.430 -2.646 7.540 1.00 0.00 H new ATOM 1410 N GLN A 96 -10.187 -2.871 10.268 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.816 -2.623 10.697 1.00 0.00 C ATOM 1412 C GLN A 96 -7.955 -3.868 10.514 1.00 0.00 C ATOM 1413 O GLN A 96 -8.197 -4.900 11.141 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.789 -2.181 12.162 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.767 -1.060 12.477 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.838 -0.748 13.959 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -9.799 -1.649 14.797 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -9.944 0.534 14.289 1.00 0.00 N ATOM 0 H GLN A 96 -10.526 -3.813 10.461 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.407 -1.826 10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.015 -3.038 12.796 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.781 -1.854 12.416 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.472 -0.162 11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.759 -1.337 12.120 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.973 1.247 13.561 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.997 0.805 15.271 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.951 -3.765 9.651 1.00 0.00 N ATOM 1428 CA ASP A 97 -6.053 -4.883 9.385 1.00 0.00 C ATOM 1429 C ASP A 97 -4.709 -4.388 8.861 1.00 0.00 C ATOM 1430 O ASP A 97 -4.576 -3.233 8.457 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.685 -5.844 8.377 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.931 -7.156 8.276 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.132 -8.025 9.151 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.141 -7.313 7.323 1.00 0.00 O ATOM 0 H ASP A 97 -6.738 -2.919 9.123 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.884 -5.412 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.717 -6.043 8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.715 -5.369 7.396 1.00 0.00 H new ATOM 1439 N SER A 98 -3.714 -5.270 8.871 1.00 0.00 N ATOM 1440 CA SER A 98 -2.379 -4.921 8.400 1.00 0.00 C ATOM 1441 C SER A 98 -1.610 -6.168 7.974 1.00 0.00 C ATOM 1442 O SER A 98 -1.881 -7.270 8.450 1.00 0.00 O ATOM 1443 CB SER A 98 -1.607 -4.181 9.495 1.00 0.00 C ATOM 1444 OG SER A 98 -1.340 -5.033 10.595 1.00 0.00 O ATOM 0 H SER A 98 -3.807 -6.231 9.200 1.00 0.00 H new ATOM 0 HA SER A 98 -2.485 -4.267 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.669 -3.801 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.183 -3.318 9.830 1.00 0.00 H new ATOM 0 HG SER A 98 -0.845 -4.537 11.280 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.649 -5.984 7.075 1.00 0.00 N ATOM 1451 CA ALA A 99 0.161 -7.093 6.585 1.00 0.00 C ATOM 1452 C ALA A 99 1.645 -6.836 6.826 1.00 0.00 C ATOM 1453 O ALA A 99 2.024 -5.808 7.386 1.00 0.00 O ATOM 1454 CB ALA A 99 -0.103 -7.326 5.105 1.00 0.00 C ATOM 0 H ALA A 99 -0.412 -5.078 6.671 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.121 -7.989 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.508 -8.157 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.157 -7.562 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.150 -6.426 4.544 1.00 0.00 H new ATOM 1460 N ALA A 100 2.480 -7.778 6.400 1.00 0.00 N ATOM 1461 CA ALA A 100 3.923 -7.653 6.567 1.00 0.00 C ATOM 1462 C ALA A 100 4.641 -7.731 5.225 1.00 0.00 C ATOM 1463 O ALA A 100 4.510 -8.716 4.496 1.00 0.00 O ATOM 1464 CB ALA A 100 4.440 -8.731 7.508 1.00 0.00 C ATOM 0 H ALA A 100 2.182 -8.636 5.937 1.00 0.00 H new ATOM 0 HA ALA A 100 4.130 -6.675 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.519 -8.626 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.959 -8.626 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.213 -9.714 7.095 1.00 0.00 H new ATOM 1470 N LEU A 101 5.398 -6.689 4.902 1.00 0.00 N ATOM 1471 CA LEU A 101 6.137 -6.639 3.645 1.00 0.00 C ATOM 1472 C LEU A 101 7.614 -6.945 3.870 1.00 0.00 C ATOM 1473 O LEU A 101 8.262 -6.343 4.727 1.00 0.00 O ATOM 1474 CB LEU A 101 5.983 -5.264 2.994 1.00 0.00 C ATOM 1475 CG LEU A 101 6.931 -4.960 1.834 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.424 -5.596 0.549 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.096 -3.457 1.659 1.00 0.00 C ATOM 0 H LEU A 101 5.517 -5.866 5.493 1.00 0.00 H new ATOM 0 HA LEU A 101 5.725 -7.397 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.959 -5.167 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.125 -4.503 3.761 1.00 0.00 H new ATOM 0 HG LEU A 101 7.906 -5.387 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.112 -5.369 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.359 -6.676 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.437 -5.199 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.774 -3.260 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.126 -3.006 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.506 -3.027 2.573 1.00 0.00 H new ATOM 1489 N THR A 102 8.144 -7.885 3.092 1.00 0.00 N ATOM 1490 CA THR A 102 9.544 -8.271 3.204 1.00 0.00 C ATOM 1491 C THR A 102 10.298 -7.988 1.910 1.00 0.00 C ATOM 1492 O THR A 102 9.769 -8.187 0.816 1.00 0.00 O ATOM 1493 CB THR A 102 9.690 -9.764 3.554 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.022 -10.045 4.789 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.156 -10.153 3.664 1.00 0.00 C ATOM 0 H THR A 102 7.623 -8.393 2.377 1.00 0.00 H new ATOM 0 HA THR A 102 9.972 -7.674 4.009 1.00 0.00 H new ATOM 0 HB THR A 102 9.235 -10.348 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.118 -10.996 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.234 -11.212 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.655 -9.965 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.632 -9.561 4.446 1.00 0.00 H new ATOM 1503 N ILE A 103 11.536 -7.524 2.041 1.00 0.00 N ATOM 1504 CA ILE A 103 12.363 -7.216 0.881 1.00 0.00 C ATOM 1505 C ILE A 103 13.767 -7.791 1.037 1.00 0.00 C ATOM 1506 O ILE A 103 14.568 -7.290 1.825 1.00 0.00 O ATOM 1507 CB ILE A 103 12.466 -5.697 0.650 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.072 -5.089 0.482 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.328 -5.403 -0.569 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.030 -3.596 0.725 1.00 0.00 C ATOM 0 H ILE A 103 11.989 -7.353 2.939 1.00 0.00 H new ATOM 0 HA ILE A 103 11.879 -7.675 0.019 1.00 0.00 H new ATOM 0 HB ILE A 103 12.937 -5.243 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.714 -5.295 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.385 -5.580 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.391 -4.325 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.328 -5.807 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.883 -5.866 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.011 -3.234 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.357 -3.384 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.691 -3.094 0.019 1.00 0.00 H new ATOM 1522 N GLN A 104 14.056 -8.845 0.281 1.00 0.00 N ATOM 1523 CA GLN A 104 15.364 -9.487 0.335 1.00 0.00 C ATOM 1524 C GLN A 104 16.331 -8.839 -0.650 1.00 0.00 C ATOM 1525 O GLN A 104 16.006 -8.656 -1.823 1.00 0.00 O ATOM 1526 CB GLN A 104 15.235 -10.981 0.033 1.00 0.00 C ATOM 1527 CG GLN A 104 14.326 -11.721 1.001 1.00 0.00 C ATOM 1528 CD GLN A 104 14.965 -11.928 2.360 1.00 0.00 C ATOM 1529 OE1 GLN A 104 15.988 -11.320 2.676 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.364 -12.789 3.172 1.00 0.00 N ATOM 0 H GLN A 104 13.403 -9.272 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 104 15.761 -9.360 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.852 -11.107 -0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.226 -11.435 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.398 -11.162 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.062 -12.690 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.518 -13.271 2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.748 -12.969 4.099 1.00 0.00 H new ATOM 1539 N GLU A 105 17.519 -8.493 -0.165 1.00 0.00 N ATOM 1540 CA GLU A 105 18.532 -7.864 -1.004 1.00 0.00 C ATOM 1541 C GLU A 105 18.961 -8.798 -2.132 1.00 0.00 C ATOM 1542 O GLU A 105 19.352 -9.940 -1.892 1.00 0.00 O ATOM 1543 CB GLU A 105 19.748 -7.468 -0.164 1.00 0.00 C ATOM 1544 CG GLU A 105 19.431 -6.464 0.932 1.00 0.00 C ATOM 1545 CD GLU A 105 20.469 -6.459 2.036 1.00 0.00 C ATOM 1546 OE1 GLU A 105 20.830 -7.554 2.516 1.00 0.00 O ATOM 1547 OE2 GLU A 105 20.921 -5.360 2.421 1.00 0.00 O ATOM 0 H GLU A 105 17.803 -8.637 0.804 1.00 0.00 H new ATOM 0 HA GLU A 105 18.096 -6.967 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.174 -8.364 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.511 -7.048 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.363 -5.467 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.454 -6.693 1.358 1.00 0.00 H new ATOM 1554 N SER A 106 18.885 -8.303 -3.364 1.00 0.00 N ATOM 1555 CA SER A 106 19.262 -9.093 -4.530 1.00 0.00 C ATOM 1556 C SER A 106 20.777 -9.122 -4.701 1.00 0.00 C ATOM 1557 O SER A 106 21.363 -10.170 -4.973 1.00 0.00 O ATOM 1558 CB SER A 106 18.605 -8.526 -5.790 1.00 0.00 C ATOM 1559 OG SER A 106 18.939 -7.161 -5.968 1.00 0.00 O ATOM 0 H SER A 106 18.566 -7.359 -3.580 1.00 0.00 H new ATOM 0 HA SER A 106 18.913 -10.114 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 106 18.925 -9.099 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.523 -8.633 -5.719 1.00 0.00 H new ATOM 0 HG SER A 106 18.509 -6.822 -6.781 1.00 0.00 H new ATOM 1565 N SER A 107 21.407 -7.963 -4.539 1.00 0.00 N ATOM 1566 CA SER A 107 22.854 -7.852 -4.679 1.00 0.00 C ATOM 1567 C SER A 107 23.546 -8.047 -3.333 1.00 0.00 C ATOM 1568 O SER A 107 24.501 -7.343 -3.005 1.00 0.00 O ATOM 1569 CB SER A 107 23.229 -6.490 -5.265 1.00 0.00 C ATOM 1570 OG SER A 107 24.611 -6.430 -5.571 1.00 0.00 O ATOM 0 H SER A 107 20.937 -7.087 -4.310 1.00 0.00 H new ATOM 0 HA SER A 107 23.189 -8.636 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.645 -6.305 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.976 -5.703 -4.555 1.00 0.00 H new ATOM 0 HG SER A 107 25.133 -6.585 -4.756 1.00 0.00 H new ATOM 1576 N GLY A 108 23.057 -9.009 -2.556 1.00 0.00 N ATOM 1577 CA GLY A 108 23.639 -9.280 -1.255 1.00 0.00 C ATOM 1578 C GLY A 108 23.156 -10.589 -0.664 1.00 0.00 C ATOM 1579 O GLY A 108 22.415 -11.344 -1.296 1.00 0.00 O ATOM 0 H GLY A 108 22.268 -9.605 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 108 24.725 -9.304 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 108 23.393 -8.465 -0.574 1.00 0.00 H new ATOM 1583 N PRO A 109 23.580 -10.877 0.575 1.00 0.00 N ATOM 1584 CA PRO A 109 23.198 -12.106 1.277 1.00 0.00 C ATOM 1585 C PRO A 109 21.726 -12.113 1.674 1.00 0.00 C ATOM 1586 O PRO A 109 21.088 -11.063 1.749 1.00 0.00 O ATOM 1587 CB PRO A 109 24.088 -12.093 2.523 1.00 0.00 C ATOM 1588 CG PRO A 109 24.401 -10.654 2.750 1.00 0.00 C ATOM 1589 CD PRO A 109 24.464 -10.024 1.387 1.00 0.00 C ATOM 0 HA PRO A 109 23.328 -12.990 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 109 23.574 -12.527 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 109 24.996 -12.676 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 109 23.635 -10.180 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 109 25.348 -10.539 3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 109 24.118 -8.990 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 109 25.481 -10.013 0.996 1.00 0.00 H new ATOM 1597 N SER A 110 21.192 -13.304 1.927 1.00 0.00 N ATOM 1598 CA SER A 110 19.794 -13.448 2.313 1.00 0.00 C ATOM 1599 C SER A 110 19.545 -14.809 2.957 1.00 0.00 C ATOM 1600 O SER A 110 19.970 -15.841 2.438 1.00 0.00 O ATOM 1601 CB SER A 110 18.886 -13.275 1.094 1.00 0.00 C ATOM 1602 OG SER A 110 17.520 -13.269 1.472 1.00 0.00 O ATOM 0 H SER A 110 21.707 -14.183 1.871 1.00 0.00 H new ATOM 0 HA SER A 110 19.563 -12.672 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 110 19.130 -12.343 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 110 19.067 -14.083 0.385 1.00 0.00 H new ATOM 0 HG SER A 110 17.321 -12.447 1.966 1.00 0.00 H new ATOM 1608 N SER A 111 18.854 -14.802 4.093 1.00 0.00 N ATOM 1609 CA SER A 111 18.552 -16.034 4.812 1.00 0.00 C ATOM 1610 C SER A 111 17.135 -16.509 4.504 1.00 0.00 C ATOM 1611 O SER A 111 16.909 -17.687 4.232 1.00 0.00 O ATOM 1612 CB SER A 111 18.716 -15.824 6.318 1.00 0.00 C ATOM 1613 OG SER A 111 17.982 -14.694 6.758 1.00 0.00 O ATOM 0 H SER A 111 18.493 -13.957 4.535 1.00 0.00 H new ATOM 0 HA SER A 111 19.253 -16.800 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 111 18.377 -16.712 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 111 19.771 -15.692 6.557 1.00 0.00 H new ATOM 0 HG SER A 111 18.102 -14.582 7.724 1.00 0.00 H new ATOM 1619 N GLY A 112 16.184 -15.581 4.548 1.00 0.00 N ATOM 1620 CA GLY A 112 14.801 -15.923 4.272 1.00 0.00 C ATOM 1621 C GLY A 112 14.455 -15.797 2.802 1.00 0.00 C ATOM 1622 O GLY A 112 13.338 -16.111 2.391 1.00 0.00 O ATOM 0 H GLY A 112 16.347 -14.599 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 112 14.610 -16.945 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.146 -15.273 4.853 1.00 0.00 H new TER 1626 GLY A 112