USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1005 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 121 CYS SG : rot 180:sc= 0.169 USER MOD Set 1.2: A 125 ASN : amide:sc= -1.09 K(o=-0.92,f=-1.9!) USER MOD Set 2.1: A 114 THR OG1 : rot -159:sc= 0.0118 USER MOD Set 2.2: A 120 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-5.2!) USER MOD Set 3.1: A 58 HIS : no HD1:sc= -0.446 X(o=-1.1,f=-1) USER MOD Set 3.2: A 60 CYS SG : rot 180:sc= -0.704 USER MOD Set 4.1: A 32 SER OG : rot 101:sc= -1.45! USER MOD Set 4.2: A 34 LYS NZ :NH3+ 164:sc= -0.466 (180deg=-1.72!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc=-0.00856 (180deg=-0.17) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.242) USER MOD Single : A 31 MET CE :methyl 179:sc= -0.989 (180deg=-1.02) USER MOD Single : A 36 THR OG1 : rot 57:sc= -0.108! USER MOD Single : A 37 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0695 (180deg=-0.492) USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= 0.349 (180deg=-0.145) USER MOD Single : A 48 TYR OH : rot 150:sc= -0.638 USER MOD Single : A 50 GLN : amide:sc= -5.89! C(o=-5.9!,f=-3.9!) USER MOD Single : A 51 GLN : amide:sc= -0.0136 K(o=-0.014,f=-0.94) USER MOD Single : A 52 THR OG1 : rot -100:sc= -1.52 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.907 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 80 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.19! C(o=-2.2!,f=-7.7!) USER MOD Single : A 88 CYS SG : rot 96:sc= -0.481 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.307 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.0553 (180deg=-0.55) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 160:sc= 0 (180deg=-0.156) USER MOD Single : A 110 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5.6!) USER MOD Single : A 113 LYS NZ :NH3+ -120:sc= 1.07 (180deg=-1.13!) USER MOD Single : A 116 GLN : amide:sc=-0.00871 K(o=-0.0087,f=-0.84) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.85) USER MOD Single : A 130 ASN : amide:sc= -0.0735 K(o=-0.074,f=-1.3!) USER MOD Single : B 940 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 950 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 20 98.544 -9.256 18.259 1.00 0.00 N ATOM 2 CA ASN A 20 97.265 -9.286 19.023 1.00 0.00 C ATOM 3 C ASN A 20 96.498 -7.991 18.772 1.00 0.00 C ATOM 4 O ASN A 20 95.268 -7.984 18.736 1.00 0.00 O ATOM 5 CB ASN A 20 97.569 -9.431 20.516 1.00 0.00 C ATOM 6 CG ASN A 20 98.356 -10.712 20.767 1.00 0.00 C ATOM 7 OD1 ASN A 20 98.076 -11.744 20.157 1.00 0.00 O ATOM 8 ND2 ASN A 20 99.327 -10.710 21.638 1.00 0.00 N ATOM 0 HA ASN A 20 96.659 -10.132 18.697 1.00 0.00 H new ATOM 0 HB2 ASN A 20 98.139 -8.570 20.864 1.00 0.00 H new ATOM 0 HB3 ASN A 20 96.639 -9.449 21.085 1.00 0.00 H new ATOM 0 HD21 ASN A 20 99.856 -11.564 21.814 1.00 0.00 H new ATOM 0 HD22 ASN A 20 99.558 -9.854 22.143 1.00 0.00 H new ATOM 17 N LYS A 21 97.234 -6.900 18.597 1.00 0.00 N ATOM 18 CA LYS A 21 96.620 -5.601 18.346 1.00 0.00 C ATOM 19 C LYS A 21 95.861 -5.606 17.020 1.00 0.00 C ATOM 20 O LYS A 21 95.231 -4.614 16.653 1.00 0.00 O ATOM 21 CB LYS A 21 97.686 -4.506 18.325 1.00 0.00 C ATOM 22 CG LYS A 21 98.863 -4.953 17.461 1.00 0.00 C ATOM 23 CD LYS A 21 99.571 -3.723 16.896 1.00 0.00 C ATOM 24 CE LYS A 21 100.990 -4.104 16.481 1.00 0.00 C ATOM 25 NZ LYS A 21 101.848 -4.206 17.696 1.00 0.00 N ATOM 0 H LYS A 21 98.254 -6.888 18.624 1.00 0.00 H new ATOM 0 HA LYS A 21 95.914 -5.400 19.152 1.00 0.00 H new ATOM 0 HB2 LYS A 21 97.264 -3.581 17.932 1.00 0.00 H new ATOM 0 HB3 LYS A 21 98.026 -4.296 19.339 1.00 0.00 H new ATOM 0 HG2 LYS A 21 99.559 -5.547 18.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 98.512 -5.590 16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 21 99.021 -3.334 16.039 1.00 0.00 H new ATOM 0 HD3 LYS A 21 99.599 -2.930 17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 21 100.982 -5.054 15.946 1.00 0.00 H new ATOM 0 HE3 LYS A 21 101.394 -3.357 15.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 102.848 -4.127 17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 101.608 -3.439 18.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 101.687 -5.124 18.158 1.00 0.00 H new ATOM 39 N TYR A 22 95.934 -6.725 16.306 1.00 0.00 N ATOM 40 CA TYR A 22 95.251 -6.855 15.019 1.00 0.00 C ATOM 41 C TYR A 22 94.396 -8.114 14.995 1.00 0.00 C ATOM 42 O TYR A 22 94.896 -9.224 15.194 1.00 0.00 O ATOM 43 CB TYR A 22 96.280 -6.904 13.888 1.00 0.00 C ATOM 44 CG TYR A 22 96.190 -8.228 13.172 1.00 0.00 C ATOM 45 CD1 TYR A 22 95.155 -8.456 12.259 1.00 0.00 C ATOM 46 CD2 TYR A 22 97.139 -9.225 13.421 1.00 0.00 C ATOM 47 CE1 TYR A 22 95.067 -9.683 11.595 1.00 0.00 C ATOM 48 CE2 TYR A 22 97.052 -10.453 12.757 1.00 0.00 C ATOM 49 CZ TYR A 22 96.016 -10.682 11.844 1.00 0.00 C ATOM 50 OH TYR A 22 95.927 -11.894 11.192 1.00 0.00 O ATOM 0 H TYR A 22 96.456 -7.553 16.593 1.00 0.00 H new ATOM 0 HA TYR A 22 94.602 -5.990 14.879 1.00 0.00 H new ATOM 0 HB2 TYR A 22 96.102 -6.088 13.187 1.00 0.00 H new ATOM 0 HB3 TYR A 22 97.283 -6.765 14.291 1.00 0.00 H new ATOM 0 HD1 TYR A 22 94.424 -7.684 12.067 1.00 0.00 H new ATOM 0 HD2 TYR A 22 97.938 -9.047 14.125 1.00 0.00 H new ATOM 0 HE1 TYR A 22 94.268 -9.860 10.891 1.00 0.00 H new ATOM 0 HE2 TYR A 22 97.784 -11.224 12.949 1.00 0.00 H new ATOM 0 HH TYR A 22 96.663 -12.474 11.478 1.00 0.00 H new ATOM 60 N LEU A 23 93.105 -7.939 14.738 1.00 0.00 N ATOM 61 CA LEU A 23 92.196 -9.072 14.675 1.00 0.00 C ATOM 62 C LEU A 23 91.949 -9.453 13.217 1.00 0.00 C ATOM 63 O LEU A 23 92.071 -10.617 12.839 1.00 0.00 O ATOM 64 CB LEU A 23 90.868 -8.726 15.352 1.00 0.00 C ATOM 65 CG LEU A 23 90.118 -10.020 15.701 1.00 0.00 C ATOM 66 CD1 LEU A 23 90.827 -10.769 16.839 1.00 0.00 C ATOM 67 CD2 LEU A 23 88.690 -9.679 16.133 1.00 0.00 C ATOM 0 H LEU A 23 92.669 -7.032 14.572 1.00 0.00 H new ATOM 0 HA LEU A 23 92.647 -9.915 15.198 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.049 -8.143 16.255 1.00 0.00 H new ATOM 0 HB3 LEU A 23 90.261 -8.108 14.691 1.00 0.00 H new ATOM 0 HG LEU A 23 90.099 -10.660 14.819 1.00 0.00 H new ATOM 0 HD11 LEU A 23 90.279 -11.682 17.070 1.00 0.00 H new ATOM 0 HD12 LEU A 23 91.841 -11.022 16.531 1.00 0.00 H new ATOM 0 HD13 LEU A 23 90.864 -10.134 17.724 1.00 0.00 H new ATOM 0 HD21 LEU A 23 88.156 -10.596 16.381 1.00 0.00 H new ATOM 0 HD22 LEU A 23 88.720 -9.029 17.007 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.176 -9.169 15.319 1.00 0.00 H new ATOM 79 N VAL A 24 91.610 -8.455 12.406 1.00 0.00 N ATOM 80 CA VAL A 24 91.357 -8.676 10.988 1.00 0.00 C ATOM 81 C VAL A 24 91.998 -7.577 10.152 1.00 0.00 C ATOM 82 O VAL A 24 91.808 -6.388 10.411 1.00 0.00 O ATOM 83 CB VAL A 24 89.854 -8.724 10.723 1.00 0.00 C ATOM 84 CG1 VAL A 24 89.596 -8.823 9.217 1.00 0.00 C ATOM 85 CG2 VAL A 24 89.255 -9.949 11.421 1.00 0.00 C ATOM 0 H VAL A 24 91.505 -7.486 12.707 1.00 0.00 H new ATOM 0 HA VAL A 24 91.799 -9.631 10.704 1.00 0.00 H new ATOM 0 HB VAL A 24 89.391 -7.816 11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 24 88.522 -8.857 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.022 -7.953 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 24 90.060 -9.729 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 24 88.182 -9.986 11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 24 89.723 -10.854 11.033 1.00 0.00 H new ATOM 0 HG23 VAL A 24 89.434 -9.880 12.494 1.00 0.00 H new ATOM 95 N GLU A 25 92.747 -7.978 9.139 1.00 0.00 N ATOM 96 CA GLU A 25 93.400 -7.012 8.266 1.00 0.00 C ATOM 97 C GLU A 25 93.696 -7.637 6.904 1.00 0.00 C ATOM 98 O GLU A 25 94.205 -8.756 6.821 1.00 0.00 O ATOM 99 CB GLU A 25 94.701 -6.526 8.913 1.00 0.00 C ATOM 100 CG GLU A 25 95.723 -7.666 8.916 1.00 0.00 C ATOM 101 CD GLU A 25 96.585 -7.618 7.656 1.00 0.00 C ATOM 102 OE1 GLU A 25 96.982 -6.530 7.270 1.00 0.00 O ATOM 103 OE2 GLU A 25 96.835 -8.671 7.095 1.00 0.00 O ATOM 0 H GLU A 25 92.918 -8.955 8.900 1.00 0.00 H new ATOM 0 HA GLU A 25 92.732 -6.163 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 25 95.095 -5.670 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 25 94.510 -6.191 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 25 96.357 -7.591 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 25 95.207 -8.624 8.974 1.00 0.00 H new ATOM 110 N PHE A 26 93.371 -6.907 5.841 1.00 0.00 N ATOM 111 CA PHE A 26 93.607 -7.401 4.485 1.00 0.00 C ATOM 112 C PHE A 26 93.752 -6.247 3.490 1.00 0.00 C ATOM 113 O PHE A 26 93.239 -5.151 3.712 1.00 0.00 O ATOM 114 CB PHE A 26 92.459 -8.317 4.053 1.00 0.00 C ATOM 115 CG PHE A 26 92.539 -9.625 4.808 1.00 0.00 C ATOM 116 CD1 PHE A 26 91.768 -9.819 5.959 1.00 0.00 C ATOM 117 CD2 PHE A 26 93.386 -10.645 4.352 1.00 0.00 C ATOM 118 CE1 PHE A 26 91.842 -11.033 6.656 1.00 0.00 C ATOM 119 CE2 PHE A 26 93.461 -11.858 5.049 1.00 0.00 C ATOM 120 CZ PHE A 26 92.689 -12.051 6.201 1.00 0.00 C ATOM 0 H PHE A 26 92.948 -5.980 5.889 1.00 0.00 H new ATOM 0 HA PHE A 26 94.540 -7.965 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 26 91.502 -7.832 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 26 92.512 -8.501 2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 26 91.116 -9.033 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 26 93.981 -10.496 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 26 91.246 -11.183 7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 26 94.114 -12.644 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 26 92.747 -12.986 6.739 1.00 0.00 H new ATOM 130 N ARG A 27 94.440 -6.509 2.382 1.00 0.00 N ATOM 131 CA ARG A 27 94.631 -5.490 1.354 1.00 0.00 C ATOM 132 C ARG A 27 93.330 -5.240 0.601 1.00 0.00 C ATOM 133 O ARG A 27 92.516 -6.148 0.433 1.00 0.00 O ATOM 134 CB ARG A 27 95.710 -5.937 0.368 1.00 0.00 C ATOM 135 CG ARG A 27 97.059 -5.991 1.081 1.00 0.00 C ATOM 136 CD ARG A 27 98.094 -6.642 0.166 1.00 0.00 C ATOM 137 NE ARG A 27 97.740 -8.036 -0.079 1.00 0.00 N ATOM 138 CZ ARG A 27 98.051 -8.990 0.793 1.00 0.00 C ATOM 139 NH1 ARG A 27 97.714 -10.226 0.550 1.00 0.00 N ATOM 140 NH2 ARG A 27 98.693 -8.691 1.889 1.00 0.00 N ATOM 0 H ARG A 27 94.871 -7.410 2.174 1.00 0.00 H new ATOM 0 HA ARG A 27 94.943 -4.566 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 27 95.462 -6.917 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 27 95.758 -5.245 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.379 -4.985 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 27 96.970 -6.558 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 27 98.147 -6.101 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 27 99.082 -6.584 0.623 1.00 0.00 H new ATOM 0 HE ARG A 27 97.244 -8.283 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 27 97.213 -10.459 -0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 27 97.951 -10.960 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 27 98.957 -7.724 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 27 98.931 -9.424 2.557 1.00 0.00 H new ATOM 154 N ALA A 28 93.142 -4.008 0.142 1.00 0.00 N ATOM 155 CA ALA A 28 91.938 -3.658 -0.600 1.00 0.00 C ATOM 156 C ALA A 28 92.181 -2.430 -1.471 1.00 0.00 C ATOM 157 O ALA A 28 92.770 -1.445 -1.026 1.00 0.00 O ATOM 158 CB ALA A 28 90.791 -3.375 0.368 1.00 0.00 C ATOM 0 H ALA A 28 93.802 -3.241 0.269 1.00 0.00 H new ATOM 0 HA ALA A 28 91.675 -4.499 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 28 89.895 -3.114 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 28 90.596 -4.262 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 28 91.063 -2.546 1.022 1.00 0.00 H new ATOM 164 N GLY A 29 91.716 -2.498 -2.712 1.00 0.00 N ATOM 165 CA GLY A 29 91.880 -1.383 -3.644 1.00 0.00 C ATOM 166 C GLY A 29 90.718 -0.401 -3.541 1.00 0.00 C ATOM 167 O GLY A 29 89.598 -0.780 -3.197 1.00 0.00 O ATOM 0 H GLY A 29 91.226 -3.305 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 29 92.816 -0.866 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 29 91.948 -1.764 -4.663 1.00 0.00 H new ATOM 171 N LYS A 30 90.991 0.863 -3.854 1.00 0.00 N ATOM 172 CA LYS A 30 89.958 1.891 -3.803 1.00 0.00 C ATOM 173 C LYS A 30 89.368 2.119 -5.194 1.00 0.00 C ATOM 174 O LYS A 30 89.926 1.668 -6.194 1.00 0.00 O ATOM 175 CB LYS A 30 90.549 3.198 -3.258 1.00 0.00 C ATOM 176 CG LYS A 30 89.422 4.186 -2.939 1.00 0.00 C ATOM 177 CD LYS A 30 89.979 5.368 -2.147 1.00 0.00 C ATOM 178 CE LYS A 30 89.032 6.562 -2.290 1.00 0.00 C ATOM 179 NZ LYS A 30 87.670 6.183 -1.817 1.00 0.00 N ATOM 0 H LYS A 30 91.910 1.197 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 30 89.161 1.558 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 30 91.133 2.997 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 30 91.229 3.633 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 30 88.963 4.539 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 30 88.641 3.688 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 30 90.087 5.098 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 90.972 5.630 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 89.406 7.407 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 88.990 6.882 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 87.106 7.042 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 87.205 5.592 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 87.747 5.650 -0.927 1.00 0.00 H new ATOM 193 N MET A 31 88.238 2.820 -5.244 1.00 0.00 N ATOM 194 CA MET A 31 87.583 3.108 -6.514 1.00 0.00 C ATOM 195 C MET A 31 87.375 4.612 -6.675 1.00 0.00 C ATOM 196 O MET A 31 87.123 5.320 -5.703 1.00 0.00 O ATOM 197 CB MET A 31 86.237 2.396 -6.589 1.00 0.00 C ATOM 198 CG MET A 31 86.451 0.889 -6.435 1.00 0.00 C ATOM 199 SD MET A 31 84.913 0.007 -6.807 1.00 0.00 S ATOM 200 CE MET A 31 85.070 0.004 -8.612 1.00 0.00 C ATOM 0 H MET A 31 87.761 3.196 -4.425 1.00 0.00 H new ATOM 0 HA MET A 31 88.223 2.748 -7.319 1.00 0.00 H new ATOM 0 HB2 MET A 31 85.575 2.763 -5.805 1.00 0.00 H new ATOM 0 HB3 MET A 31 85.752 2.610 -7.541 1.00 0.00 H new ATOM 0 HG2 MET A 31 87.243 0.555 -7.105 1.00 0.00 H new ATOM 0 HG3 MET A 31 86.775 0.661 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 31 84.219 -0.517 -9.050 1.00 0.00 H new ATOM 0 HE2 MET A 31 85.095 1.031 -8.977 1.00 0.00 H new ATOM 0 HE3 MET A 31 85.991 -0.504 -8.896 1.00 0.00 H new ATOM 210 N SER A 32 87.499 5.087 -7.910 1.00 0.00 N ATOM 211 CA SER A 32 87.343 6.501 -8.201 1.00 0.00 C ATOM 212 C SER A 32 85.867 6.879 -8.206 1.00 0.00 C ATOM 213 O SER A 32 85.015 6.051 -8.505 1.00 0.00 O ATOM 214 CB SER A 32 87.952 6.828 -9.561 1.00 0.00 C ATOM 215 OG SER A 32 87.846 8.226 -9.784 1.00 0.00 O ATOM 0 H SER A 32 87.707 4.509 -8.724 1.00 0.00 H new ATOM 0 HA SER A 32 87.858 7.071 -7.427 1.00 0.00 H new ATOM 0 HB2 SER A 32 88.997 6.519 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 32 87.435 6.280 -10.348 1.00 0.00 H new ATOM 0 HG SER A 32 88.708 8.653 -9.599 1.00 0.00 H new ATOM 221 N LEU A 33 85.573 8.129 -7.874 1.00 0.00 N ATOM 222 CA LEU A 33 84.197 8.608 -7.847 1.00 0.00 C ATOM 223 C LEU A 33 84.085 9.957 -8.543 1.00 0.00 C ATOM 224 O LEU A 33 84.522 10.979 -8.013 1.00 0.00 O ATOM 225 CB LEU A 33 83.717 8.738 -6.395 1.00 0.00 C ATOM 226 CG LEU A 33 82.193 8.555 -6.313 1.00 0.00 C ATOM 227 CD1 LEU A 33 81.502 9.550 -7.245 1.00 0.00 C ATOM 228 CD2 LEU A 33 81.804 7.139 -6.737 1.00 0.00 C ATOM 0 H LEU A 33 86.269 8.830 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 33 83.571 7.888 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 33 84.213 7.992 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 33 83.993 9.716 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 33 81.881 8.726 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 33 80.422 9.416 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 33 81.760 10.566 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 33 81.831 9.378 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 33 80.722 7.025 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 33 82.128 6.964 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 33 82.284 6.417 -6.077 1.00 0.00 H new ATOM 240 N LYS A 34 83.480 9.953 -9.727 1.00 0.00 N ATOM 241 CA LYS A 34 83.301 11.186 -10.486 1.00 0.00 C ATOM 242 C LYS A 34 81.881 11.277 -11.030 1.00 0.00 C ATOM 243 O LYS A 34 81.407 10.352 -11.687 1.00 0.00 O ATOM 244 CB LYS A 34 84.291 11.235 -11.650 1.00 0.00 C ATOM 245 CG LYS A 34 85.596 10.539 -11.250 1.00 0.00 C ATOM 246 CD LYS A 34 85.434 9.009 -11.300 1.00 0.00 C ATOM 247 CE LYS A 34 86.424 8.414 -12.312 1.00 0.00 C ATOM 248 NZ LYS A 34 87.792 8.950 -12.060 1.00 0.00 N ATOM 0 H LYS A 34 83.108 9.117 -10.179 1.00 0.00 H new ATOM 0 HA LYS A 34 83.482 12.028 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 34 83.862 10.748 -12.525 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.490 12.270 -11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 34 86.398 10.847 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 34 85.885 10.846 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 34 85.610 8.583 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 34 84.413 8.751 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 34 86.430 7.327 -12.232 1.00 0.00 H new ATOM 0 HE3 LYS A 34 86.110 8.657 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 88.493 8.358 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 87.853 9.926 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 87.986 8.940 -11.038 1.00 0.00 H new ATOM 262 N GLY A 35 81.212 12.398 -10.759 1.00 0.00 N ATOM 263 CA GLY A 35 79.845 12.605 -11.240 1.00 0.00 C ATOM 264 C GLY A 35 79.069 11.292 -11.267 1.00 0.00 C ATOM 265 O GLY A 35 78.694 10.805 -12.333 1.00 0.00 O ATOM 0 H GLY A 35 81.591 13.172 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 35 79.334 13.320 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 35 79.869 13.038 -12.240 1.00 0.00 H new ATOM 269 N THR A 36 78.871 10.708 -10.095 1.00 0.00 N ATOM 270 CA THR A 36 78.175 9.434 -9.997 1.00 0.00 C ATOM 271 C THR A 36 78.781 8.431 -10.977 1.00 0.00 C ATOM 272 O THR A 36 78.116 7.957 -11.897 1.00 0.00 O ATOM 273 CB THR A 36 76.691 9.607 -10.308 1.00 0.00 C ATOM 274 OG1 THR A 36 76.534 10.608 -11.303 1.00 0.00 O ATOM 275 CG2 THR A 36 75.930 10.011 -9.045 1.00 0.00 C ATOM 0 H THR A 36 79.181 11.093 -9.203 1.00 0.00 H new ATOM 0 HA THR A 36 78.284 9.063 -8.978 1.00 0.00 H new ATOM 0 HB THR A 36 76.289 8.662 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 36 77.047 10.360 -12.100 1.00 0.00 H new ATOM 0 HG21 THR A 36 74.873 10.131 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 36 76.047 9.237 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 36 76.327 10.953 -8.667 1.00 0.00 H new ATOM 283 N THR A 37 80.043 8.098 -10.757 1.00 0.00 N ATOM 284 CA THR A 37 80.737 7.129 -11.599 1.00 0.00 C ATOM 285 C THR A 37 81.782 6.394 -10.774 1.00 0.00 C ATOM 286 O THR A 37 82.747 6.994 -10.313 1.00 0.00 O ATOM 287 CB THR A 37 81.419 7.836 -12.771 1.00 0.00 C ATOM 288 OG1 THR A 37 80.515 8.764 -13.351 1.00 0.00 O ATOM 289 CG2 THR A 37 81.828 6.804 -13.822 1.00 0.00 C ATOM 0 H THR A 37 80.611 8.483 -10.002 1.00 0.00 H new ATOM 0 HA THR A 37 80.009 6.418 -11.990 1.00 0.00 H new ATOM 0 HB THR A 37 82.304 8.361 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 37 80.461 9.564 -12.787 1.00 0.00 H new ATOM 0 HG21 THR A 37 82.314 7.308 -14.657 1.00 0.00 H new ATOM 0 HG22 THR A 37 82.519 6.088 -13.379 1.00 0.00 H new ATOM 0 HG23 THR A 37 80.942 6.279 -14.181 1.00 0.00 H new ATOM 297 N VAL A 38 81.574 5.105 -10.571 1.00 0.00 N ATOM 298 CA VAL A 38 82.497 4.313 -9.770 1.00 0.00 C ATOM 299 C VAL A 38 83.376 3.463 -10.663 1.00 0.00 C ATOM 300 O VAL A 38 82.880 2.573 -11.353 1.00 0.00 O ATOM 301 CB VAL A 38 81.710 3.373 -8.856 1.00 0.00 C ATOM 302 CG1 VAL A 38 82.655 2.633 -7.907 1.00 0.00 C ATOM 303 CG2 VAL A 38 80.696 4.166 -8.051 1.00 0.00 C ATOM 0 H VAL A 38 80.780 4.585 -10.946 1.00 0.00 H new ATOM 0 HA VAL A 38 83.111 4.997 -9.184 1.00 0.00 H new ATOM 0 HB VAL A 38 81.190 2.642 -9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.078 1.969 -7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 38 83.368 2.047 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.193 3.355 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.139 3.491 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 38 81.214 4.908 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.007 4.669 -8.729 1.00 0.00 H new ATOM 313 N THR A 39 84.675 3.725 -10.650 1.00 0.00 N ATOM 314 CA THR A 39 85.583 2.954 -11.469 1.00 0.00 C ATOM 315 C THR A 39 86.873 2.657 -10.708 1.00 0.00 C ATOM 316 O THR A 39 87.223 3.376 -9.780 1.00 0.00 O ATOM 317 CB THR A 39 85.916 3.719 -12.740 1.00 0.00 C ATOM 318 OG1 THR A 39 87.215 4.287 -12.622 1.00 0.00 O ATOM 319 CG2 THR A 39 84.900 4.845 -12.968 1.00 0.00 C ATOM 0 H THR A 39 85.114 4.455 -10.089 1.00 0.00 H new ATOM 0 HA THR A 39 85.096 2.013 -11.725 1.00 0.00 H new ATOM 0 HB THR A 39 85.881 3.029 -13.583 1.00 0.00 H new ATOM 0 HG1 THR A 39 87.432 4.779 -13.441 1.00 0.00 H new ATOM 0 HG21 THR A 39 85.152 5.383 -13.882 1.00 0.00 H new ATOM 0 HG22 THR A 39 83.901 4.420 -13.061 1.00 0.00 H new ATOM 0 HG23 THR A 39 84.924 5.533 -12.123 1.00 0.00 H new ATOM 327 N PRO A 40 87.598 1.627 -11.076 1.00 0.00 N ATOM 328 CA PRO A 40 88.871 1.281 -10.390 1.00 0.00 C ATOM 329 C PRO A 40 89.807 2.482 -10.226 1.00 0.00 C ATOM 330 O PRO A 40 90.128 3.171 -11.195 1.00 0.00 O ATOM 331 CB PRO A 40 89.514 0.257 -11.323 1.00 0.00 C ATOM 332 CG PRO A 40 88.386 -0.377 -12.057 1.00 0.00 C ATOM 333 CD PRO A 40 87.283 0.673 -12.157 1.00 0.00 C ATOM 0 HA PRO A 40 88.687 0.918 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 40 90.210 0.736 -12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 40 90.082 -0.484 -10.760 1.00 0.00 H new ATOM 0 HG2 PRO A 40 88.703 -0.701 -13.048 1.00 0.00 H new ATOM 0 HG3 PRO A 40 88.031 -1.263 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 40 87.283 1.160 -13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 40 86.296 0.229 -12.023 1.00 0.00 H new ATOM 341 N ASP A 41 90.257 2.706 -8.994 1.00 0.00 N ATOM 342 CA ASP A 41 91.177 3.808 -8.704 1.00 0.00 C ATOM 343 C ASP A 41 92.611 3.304 -8.628 1.00 0.00 C ATOM 344 O ASP A 41 92.898 2.295 -7.980 1.00 0.00 O ATOM 345 CB ASP A 41 90.808 4.489 -7.383 1.00 0.00 C ATOM 346 CG ASP A 41 91.780 5.625 -7.081 1.00 0.00 C ATOM 347 OD1 ASP A 41 92.703 5.812 -7.859 1.00 0.00 O ATOM 348 OD2 ASP A 41 91.586 6.293 -6.080 1.00 0.00 O ATOM 0 H ASP A 41 90.002 2.143 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 41 91.094 4.532 -9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 41 89.791 4.877 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 41 90.827 3.760 -6.573 1.00 0.00 H new ATOM 353 N LYS A 42 93.505 4.018 -9.293 1.00 0.00 N ATOM 354 CA LYS A 42 94.915 3.644 -9.301 1.00 0.00 C ATOM 355 C LYS A 42 95.468 3.625 -7.879 1.00 0.00 C ATOM 356 O LYS A 42 96.550 3.092 -7.629 1.00 0.00 O ATOM 357 CB LYS A 42 95.720 4.623 -10.165 1.00 0.00 C ATOM 358 CG LYS A 42 95.697 6.018 -9.534 1.00 0.00 C ATOM 359 CD LYS A 42 96.409 7.008 -10.457 1.00 0.00 C ATOM 360 CE LYS A 42 96.485 8.371 -9.769 1.00 0.00 C ATOM 361 NZ LYS A 42 95.105 8.870 -9.503 1.00 0.00 N ATOM 0 H LYS A 42 93.284 4.855 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 42 95.005 2.644 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.749 4.275 -10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 42 95.301 4.663 -11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 42 94.668 6.336 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 42 96.186 5.996 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 42 97.411 6.649 -10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 42 95.872 7.094 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 42 97.040 8.288 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 42 97.024 9.079 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 95.132 9.897 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 94.498 8.664 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 94.722 8.397 -8.660 1.00 0.00 H new ATOM 375 N ARG A 43 94.722 4.223 -6.956 1.00 0.00 N ATOM 376 CA ARG A 43 95.144 4.283 -5.562 1.00 0.00 C ATOM 377 C ARG A 43 94.795 2.987 -4.831 1.00 0.00 C ATOM 378 O ARG A 43 93.655 2.511 -4.881 1.00 0.00 O ATOM 379 CB ARG A 43 94.461 5.460 -4.866 1.00 0.00 C ATOM 380 CG ARG A 43 95.213 5.801 -3.577 1.00 0.00 C ATOM 381 CD ARG A 43 96.290 6.849 -3.869 1.00 0.00 C ATOM 382 NE ARG A 43 97.017 7.180 -2.649 1.00 0.00 N ATOM 383 CZ ARG A 43 97.709 8.310 -2.547 1.00 0.00 C ATOM 384 NH1 ARG A 43 98.356 8.583 -1.446 1.00 0.00 N ATOM 385 NH2 ARG A 43 97.739 9.149 -3.546 1.00 0.00 N ATOM 0 H ARG A 43 93.826 4.671 -7.147 1.00 0.00 H new ATOM 0 HA ARG A 43 96.225 4.417 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 43 94.442 6.326 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 43 93.425 5.210 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 43 94.517 6.180 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 43 95.670 4.902 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 43 96.982 6.470 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 43 95.831 7.747 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 43 96.994 6.533 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 43 98.330 7.929 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 43 98.887 9.450 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 43 97.231 8.937 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 43 98.270 10.016 -3.468 1.00 0.00 H new ATOM 399 N LYS A 44 95.787 2.430 -4.141 1.00 0.00 N ATOM 400 CA LYS A 44 95.592 1.194 -3.388 1.00 0.00 C ATOM 401 C LYS A 44 95.803 1.440 -1.901 1.00 0.00 C ATOM 402 O LYS A 44 96.677 2.210 -1.503 1.00 0.00 O ATOM 403 CB LYS A 44 96.570 0.125 -3.876 1.00 0.00 C ATOM 404 CG LYS A 44 96.276 -0.208 -5.339 1.00 0.00 C ATOM 405 CD LYS A 44 97.413 -1.059 -5.909 1.00 0.00 C ATOM 406 CE LYS A 44 98.414 -0.151 -6.625 1.00 0.00 C ATOM 407 NZ LYS A 44 97.846 0.279 -7.934 1.00 0.00 N ATOM 0 H LYS A 44 96.731 2.813 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 44 94.571 0.848 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 44 97.595 0.481 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 44 96.480 -0.772 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 44 95.331 -0.746 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 44 96.170 0.710 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 44 97.910 -1.607 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 44 97.016 -1.800 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 44 98.636 0.720 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 44 99.354 -0.680 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 98.604 0.321 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 97.123 -0.403 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 97.414 1.220 -7.833 1.00 0.00 H new ATOM 421 N GLY A 45 94.994 0.783 -1.081 1.00 0.00 N ATOM 422 CA GLY A 45 95.102 0.942 0.358 1.00 0.00 C ATOM 423 C GLY A 45 94.944 -0.387 1.071 1.00 0.00 C ATOM 424 O GLY A 45 94.860 -1.440 0.438 1.00 0.00 O ATOM 0 H GLY A 45 94.263 0.141 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 45 96.070 1.378 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 45 94.339 1.638 0.708 1.00 0.00 H new ATOM 428 N LEU A 46 94.914 -0.325 2.398 1.00 0.00 N ATOM 429 CA LEU A 46 94.779 -1.535 3.206 1.00 0.00 C ATOM 430 C LEU A 46 93.672 -1.382 4.245 1.00 0.00 C ATOM 431 O LEU A 46 93.533 -0.333 4.872 1.00 0.00 O ATOM 432 CB LEU A 46 96.103 -1.859 3.906 1.00 0.00 C ATOM 433 CG LEU A 46 95.948 -3.145 4.727 1.00 0.00 C ATOM 434 CD1 LEU A 46 97.181 -4.028 4.542 1.00 0.00 C ATOM 435 CD2 LEU A 46 95.819 -2.789 6.207 1.00 0.00 C ATOM 0 H LEU A 46 94.980 0.540 2.934 1.00 0.00 H new ATOM 0 HA LEU A 46 94.515 -2.354 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 46 96.896 -1.980 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.394 -1.034 4.555 1.00 0.00 H new ATOM 0 HG LEU A 46 95.059 -3.678 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 46 97.066 -4.940 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 46 97.290 -4.284 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 46 98.067 -3.490 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 95.709 -3.702 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.712 -2.255 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.944 -2.156 6.354 1.00 0.00 H new ATOM 447 N VAL A 47 92.891 -2.445 4.420 1.00 0.00 N ATOM 448 CA VAL A 47 91.798 -2.440 5.387 1.00 0.00 C ATOM 449 C VAL A 47 92.260 -2.996 6.724 1.00 0.00 C ATOM 450 O VAL A 47 92.738 -4.128 6.804 1.00 0.00 O ATOM 451 CB VAL A 47 90.633 -3.282 4.868 1.00 0.00 C ATOM 452 CG1 VAL A 47 89.566 -3.396 5.956 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.028 -2.606 3.637 1.00 0.00 C ATOM 0 H VAL A 47 92.995 -3.319 3.905 1.00 0.00 H new ATOM 0 HA VAL A 47 91.472 -1.409 5.524 1.00 0.00 H new ATOM 0 HB VAL A 47 90.992 -4.276 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 47 88.734 -3.996 5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 47 89.995 -3.872 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 47 89.207 -2.401 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.197 -3.205 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.668 -1.613 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.788 -2.517 2.860 1.00 0.00 H new ATOM 463 N TYR A 48 92.106 -2.194 7.772 1.00 0.00 N ATOM 464 CA TYR A 48 92.501 -2.614 9.108 1.00 0.00 C ATOM 465 C TYR A 48 91.293 -2.626 10.039 1.00 0.00 C ATOM 466 O TYR A 48 90.655 -1.595 10.254 1.00 0.00 O ATOM 467 CB TYR A 48 93.542 -1.647 9.666 1.00 0.00 C ATOM 468 CG TYR A 48 94.614 -2.418 10.394 1.00 0.00 C ATOM 469 CD1 TYR A 48 95.832 -2.677 9.761 1.00 0.00 C ATOM 470 CD2 TYR A 48 94.390 -2.875 11.698 1.00 0.00 C ATOM 471 CE1 TYR A 48 96.831 -3.391 10.426 1.00 0.00 C ATOM 472 CE2 TYR A 48 95.391 -3.590 12.366 1.00 0.00 C ATOM 473 CZ TYR A 48 96.612 -3.848 11.729 1.00 0.00 C ATOM 474 OH TYR A 48 97.601 -4.554 12.382 1.00 0.00 O ATOM 0 H TYR A 48 91.712 -1.254 7.721 1.00 0.00 H new ATOM 0 HA TYR A 48 92.920 -3.618 9.044 1.00 0.00 H new ATOM 0 HB2 TYR A 48 93.984 -1.067 8.856 1.00 0.00 H new ATOM 0 HB3 TYR A 48 93.067 -0.938 10.344 1.00 0.00 H new ATOM 0 HD1 TYR A 48 96.002 -2.324 8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 48 93.448 -2.677 12.187 1.00 0.00 H new ATOM 0 HE1 TYR A 48 97.772 -3.590 9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 48 95.222 -3.943 13.373 1.00 0.00 H new ATOM 0 HH TYR A 48 97.535 -4.394 13.347 1.00 0.00 H new ATOM 484 N ILE A 49 91.002 -3.794 10.599 1.00 0.00 N ATOM 485 CA ILE A 49 89.884 -3.935 11.525 1.00 0.00 C ATOM 486 C ILE A 49 90.317 -4.665 12.791 1.00 0.00 C ATOM 487 O ILE A 49 90.919 -5.737 12.735 1.00 0.00 O ATOM 488 CB ILE A 49 88.726 -4.690 10.860 1.00 0.00 C ATOM 489 CG1 ILE A 49 88.164 -3.846 9.711 1.00 0.00 C ATOM 490 CG2 ILE A 49 87.619 -4.990 11.883 1.00 0.00 C ATOM 491 CD1 ILE A 49 87.119 -4.658 8.942 1.00 0.00 C ATOM 0 H ILE A 49 91.522 -4.655 10.429 1.00 0.00 H new ATOM 0 HA ILE A 49 89.546 -2.935 11.797 1.00 0.00 H new ATOM 0 HB ILE A 49 89.097 -5.638 10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 49 87.714 -2.934 10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 49 88.969 -3.543 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 49 86.806 -5.526 11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 49 88.024 -5.603 12.688 1.00 0.00 H new ATOM 0 HG23 ILE A 49 87.241 -4.054 12.294 1.00 0.00 H new ATOM 0 HD11 ILE A 49 86.720 -4.057 8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 49 87.583 -5.558 8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 49 86.309 -4.939 9.615 1.00 0.00 H new ATOM 503 N GLN A 50 89.991 -4.079 13.937 1.00 0.00 N ATOM 504 CA GLN A 50 90.338 -4.698 15.212 1.00 0.00 C ATOM 505 C GLN A 50 89.306 -4.359 16.284 1.00 0.00 C ATOM 506 O GLN A 50 88.814 -3.241 16.349 1.00 0.00 O ATOM 507 CB GLN A 50 91.724 -4.234 15.662 1.00 0.00 C ATOM 508 CG GLN A 50 91.951 -4.641 17.121 1.00 0.00 C ATOM 509 CD GLN A 50 91.507 -3.526 18.067 1.00 0.00 C ATOM 510 OE1 GLN A 50 91.866 -3.535 19.245 1.00 0.00 O ATOM 511 NE2 GLN A 50 90.737 -2.566 17.626 1.00 0.00 N ATOM 0 H GLN A 50 89.495 -3.191 14.011 1.00 0.00 H new ATOM 0 HA GLN A 50 90.347 -5.779 15.072 1.00 0.00 H new ATOM 0 HB2 GLN A 50 92.491 -4.676 15.027 1.00 0.00 H new ATOM 0 HB3 GLN A 50 91.809 -3.152 15.558 1.00 0.00 H new ATOM 0 HG2 GLN A 50 91.396 -5.553 17.340 1.00 0.00 H new ATOM 0 HG3 GLN A 50 93.006 -4.863 17.282 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.440 -2.558 16.650 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.434 -1.825 18.258 1.00 0.00 H new ATOM 520 N GLN A 51 88.982 -5.336 17.126 1.00 0.00 N ATOM 521 CA GLN A 51 88.009 -5.122 18.190 1.00 0.00 C ATOM 522 C GLN A 51 88.699 -4.651 19.469 1.00 0.00 C ATOM 523 O GLN A 51 89.631 -5.291 19.955 1.00 0.00 O ATOM 524 CB GLN A 51 87.248 -6.416 18.465 1.00 0.00 C ATOM 525 CG GLN A 51 86.135 -6.150 19.482 1.00 0.00 C ATOM 526 CD GLN A 51 85.289 -7.407 19.667 1.00 0.00 C ATOM 527 OE1 GLN A 51 85.073 -8.155 18.714 1.00 0.00 O ATOM 528 NE2 GLN A 51 84.795 -7.684 20.842 1.00 0.00 N ATOM 0 H GLN A 51 89.376 -6.276 17.092 1.00 0.00 H new ATOM 0 HA GLN A 51 87.311 -4.350 17.867 1.00 0.00 H new ATOM 0 HB2 GLN A 51 86.823 -6.804 17.539 1.00 0.00 H new ATOM 0 HB3 GLN A 51 87.929 -7.177 18.847 1.00 0.00 H new ATOM 0 HG2 GLN A 51 86.567 -5.848 20.436 1.00 0.00 H new ATOM 0 HG3 GLN A 51 85.508 -5.326 19.141 1.00 0.00 H new ATOM 0 HE21 GLN A 51 84.975 -7.063 21.630 1.00 0.00 H new ATOM 0 HE22 GLN A 51 84.228 -8.522 20.972 1.00 0.00 H new ATOM 537 N THR A 52 88.223 -3.536 20.013 1.00 0.00 N ATOM 538 CA THR A 52 88.787 -2.988 21.242 1.00 0.00 C ATOM 539 C THR A 52 88.181 -3.670 22.461 1.00 0.00 C ATOM 540 O THR A 52 87.262 -4.480 22.342 1.00 0.00 O ATOM 541 CB THR A 52 88.532 -1.481 21.312 1.00 0.00 C ATOM 542 OG1 THR A 52 87.596 -1.118 20.310 1.00 0.00 O ATOM 543 CG2 THR A 52 89.843 -0.723 21.096 1.00 0.00 C ATOM 0 H THR A 52 87.451 -2.995 19.624 1.00 0.00 H new ATOM 0 HA THR A 52 89.862 -3.170 21.237 1.00 0.00 H new ATOM 0 HB THR A 52 88.132 -1.225 22.293 1.00 0.00 H new ATOM 0 HG1 THR A 52 88.070 -0.737 19.542 1.00 0.00 H new ATOM 0 HG21 THR A 52 89.656 0.350 21.147 1.00 0.00 H new ATOM 0 HG22 THR A 52 90.557 -1.004 21.870 1.00 0.00 H new ATOM 0 HG23 THR A 52 90.251 -0.974 20.117 1.00 0.00 H new ATOM 551 N ASP A 53 88.703 -3.344 23.636 1.00 0.00 N ATOM 552 CA ASP A 53 88.206 -3.947 24.862 1.00 0.00 C ATOM 553 C ASP A 53 86.852 -3.361 25.240 1.00 0.00 C ATOM 554 O ASP A 53 86.230 -3.785 26.214 1.00 0.00 O ATOM 555 CB ASP A 53 89.201 -3.712 25.999 1.00 0.00 C ATOM 556 CG ASP A 53 89.294 -2.220 26.306 1.00 0.00 C ATOM 557 OD1 ASP A 53 88.605 -1.457 25.648 1.00 0.00 O ATOM 558 OD2 ASP A 53 90.051 -1.864 27.193 1.00 0.00 O ATOM 0 H ASP A 53 89.461 -2.674 23.764 1.00 0.00 H new ATOM 0 HA ASP A 53 88.090 -5.018 24.695 1.00 0.00 H new ATOM 0 HB2 ASP A 53 88.885 -4.257 26.889 1.00 0.00 H new ATOM 0 HB3 ASP A 53 90.182 -4.097 25.721 1.00 0.00 H new ATOM 563 N ASP A 54 86.399 -2.395 24.454 1.00 0.00 N ATOM 564 CA ASP A 54 85.111 -1.763 24.702 1.00 0.00 C ATOM 565 C ASP A 54 84.048 -2.334 23.771 1.00 0.00 C ATOM 566 O ASP A 54 82.962 -1.774 23.644 1.00 0.00 O ATOM 567 CB ASP A 54 85.219 -0.251 24.501 1.00 0.00 C ATOM 568 CG ASP A 54 86.027 0.370 25.636 1.00 0.00 C ATOM 569 OD1 ASP A 54 86.225 -0.306 26.634 1.00 0.00 O ATOM 570 OD2 ASP A 54 86.432 1.510 25.493 1.00 0.00 O ATOM 0 H ASP A 54 86.901 -2.033 23.643 1.00 0.00 H new ATOM 0 HA ASP A 54 84.820 -1.966 25.733 1.00 0.00 H new ATOM 0 HB2 ASP A 54 85.696 -0.036 23.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 84.224 0.192 24.468 1.00 0.00 H new ATOM 575 N SER A 55 84.378 -3.446 23.117 1.00 0.00 N ATOM 576 CA SER A 55 83.454 -4.087 22.186 1.00 0.00 C ATOM 577 C SER A 55 83.239 -3.194 20.972 1.00 0.00 C ATOM 578 O SER A 55 82.154 -3.177 20.387 1.00 0.00 O ATOM 579 CB SER A 55 82.108 -4.345 22.868 1.00 0.00 C ATOM 580 OG SER A 55 82.333 -4.825 24.187 1.00 0.00 O ATOM 0 H SER A 55 85.276 -3.920 23.215 1.00 0.00 H new ATOM 0 HA SER A 55 83.884 -5.037 21.869 1.00 0.00 H new ATOM 0 HB2 SER A 55 81.521 -3.427 22.898 1.00 0.00 H new ATOM 0 HB3 SER A 55 81.532 -5.073 22.297 1.00 0.00 H new ATOM 0 HG SER A 55 81.473 -4.989 24.627 1.00 0.00 H new ATOM 586 N LEU A 56 84.280 -2.449 20.603 1.00 0.00 N ATOM 587 CA LEU A 56 84.194 -1.543 19.457 1.00 0.00 C ATOM 588 C LEU A 56 85.180 -1.951 18.367 1.00 0.00 C ATOM 589 O LEU A 56 86.288 -2.395 18.660 1.00 0.00 O ATOM 590 CB LEU A 56 84.499 -0.113 19.905 1.00 0.00 C ATOM 591 CG LEU A 56 83.579 0.265 21.067 1.00 0.00 C ATOM 592 CD1 LEU A 56 83.919 1.674 21.550 1.00 0.00 C ATOM 593 CD2 LEU A 56 82.117 0.217 20.610 1.00 0.00 C ATOM 0 H LEU A 56 85.184 -2.453 21.075 1.00 0.00 H new ATOM 0 HA LEU A 56 83.183 -1.597 19.053 1.00 0.00 H new ATOM 0 HB2 LEU A 56 85.542 -0.031 20.211 1.00 0.00 H new ATOM 0 HB3 LEU A 56 84.356 0.578 19.074 1.00 0.00 H new ATOM 0 HG LEU A 56 83.722 -0.443 21.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 83.263 1.943 22.378 1.00 0.00 H new ATOM 0 HD12 LEU A 56 84.956 1.704 21.884 1.00 0.00 H new ATOM 0 HD13 LEU A 56 83.781 2.382 20.733 1.00 0.00 H new ATOM 0 HD21 LEU A 56 81.467 0.487 21.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 81.969 0.920 19.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 81.874 -0.790 20.272 1.00 0.00 H new ATOM 605 N ILE A 57 84.776 -1.787 17.109 1.00 0.00 N ATOM 606 CA ILE A 57 85.649 -2.136 15.990 1.00 0.00 C ATOM 607 C ILE A 57 86.397 -0.907 15.491 1.00 0.00 C ATOM 608 O ILE A 57 85.793 0.073 15.055 1.00 0.00 O ATOM 609 CB ILE A 57 84.828 -2.753 14.847 1.00 0.00 C ATOM 610 CG1 ILE A 57 84.668 -4.259 15.082 1.00 0.00 C ATOM 611 CG2 ILE A 57 85.536 -2.520 13.511 1.00 0.00 C ATOM 612 CD1 ILE A 57 84.035 -4.503 16.454 1.00 0.00 C ATOM 0 H ILE A 57 83.863 -1.420 16.841 1.00 0.00 H new ATOM 0 HA ILE A 57 86.377 -2.869 16.338 1.00 0.00 H new ATOM 0 HB ILE A 57 83.846 -2.281 14.821 1.00 0.00 H new ATOM 0 HG12 ILE A 57 84.045 -4.694 14.301 1.00 0.00 H new ATOM 0 HG13 ILE A 57 85.639 -4.751 15.026 1.00 0.00 H new ATOM 0 HG21 ILE A 57 84.948 -2.960 12.706 1.00 0.00 H new ATOM 0 HG22 ILE A 57 85.644 -1.449 13.338 1.00 0.00 H new ATOM 0 HG23 ILE A 57 86.522 -2.984 13.536 1.00 0.00 H new ATOM 0 HD11 ILE A 57 83.923 -5.575 16.618 1.00 0.00 H new ATOM 0 HD12 ILE A 57 84.675 -4.083 17.230 1.00 0.00 H new ATOM 0 HD13 ILE A 57 83.056 -4.026 16.493 1.00 0.00 H new ATOM 624 N HIS A 58 87.723 -0.971 15.545 1.00 0.00 N ATOM 625 CA HIS A 58 88.552 0.129 15.084 1.00 0.00 C ATOM 626 C HIS A 58 88.832 -0.035 13.596 1.00 0.00 C ATOM 627 O HIS A 58 89.492 -0.995 13.186 1.00 0.00 O ATOM 628 CB HIS A 58 89.873 0.160 15.854 1.00 0.00 C ATOM 629 CG HIS A 58 90.328 1.585 16.005 1.00 0.00 C ATOM 630 ND1 HIS A 58 90.895 2.057 17.178 1.00 0.00 N ATOM 631 CD2 HIS A 58 90.297 2.657 15.146 1.00 0.00 C ATOM 632 CE1 HIS A 58 91.180 3.359 16.996 1.00 0.00 C ATOM 633 NE2 HIS A 58 90.835 3.776 15.775 1.00 0.00 N ATOM 0 H HIS A 58 88.243 -1.772 15.903 1.00 0.00 H new ATOM 0 HA HIS A 58 88.023 1.066 15.257 1.00 0.00 H new ATOM 0 HB2 HIS A 58 89.746 -0.299 16.834 1.00 0.00 H new ATOM 0 HB3 HIS A 58 90.629 -0.421 15.325 1.00 0.00 H new ATOM 0 HD2 HIS A 58 89.914 2.635 14.137 1.00 0.00 H new ATOM 0 HE1 HIS A 58 91.633 3.990 17.746 1.00 0.00 H new ATOM 0 HE2 HIS A 58 90.943 4.713 15.387 1.00 0.00 H new ATOM 641 N PHE A 59 88.313 0.896 12.797 1.00 0.00 N ATOM 642 CA PHE A 59 88.501 0.843 11.350 1.00 0.00 C ATOM 643 C PHE A 59 89.511 1.885 10.889 1.00 0.00 C ATOM 644 O PHE A 59 89.292 3.088 11.048 1.00 0.00 O ATOM 645 CB PHE A 59 87.163 1.082 10.641 1.00 0.00 C ATOM 646 CG PHE A 59 87.394 1.218 9.154 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.658 0.083 8.378 1.00 0.00 C ATOM 648 CD2 PHE A 59 87.343 2.482 8.550 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.872 0.211 7.000 1.00 0.00 C ATOM 650 CE2 PHE A 59 87.557 2.608 7.172 1.00 0.00 C ATOM 651 CZ PHE A 59 87.821 1.474 6.397 1.00 0.00 C ATOM 0 H PHE A 59 87.763 1.690 13.125 1.00 0.00 H new ATOM 0 HA PHE A 59 88.883 -0.146 11.095 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.482 0.254 10.839 1.00 0.00 H new ATOM 0 HB3 PHE A 59 86.690 1.984 11.030 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.697 -0.891 8.842 1.00 0.00 H new ATOM 0 HD2 PHE A 59 87.139 3.358 9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 59 88.076 -0.665 6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 59 87.518 3.582 6.707 1.00 0.00 H new ATOM 0 HZ PHE A 59 87.985 1.572 5.334 1.00 0.00 H new ATOM 661 N CYS A 60 90.611 1.413 10.306 1.00 0.00 N ATOM 662 CA CYS A 60 91.646 2.309 9.808 1.00 0.00 C ATOM 663 C CYS A 60 92.038 1.941 8.384 1.00 0.00 C ATOM 664 O CYS A 60 92.268 0.773 8.071 1.00 0.00 O ATOM 665 CB CYS A 60 92.870 2.274 10.729 1.00 0.00 C ATOM 666 SG CYS A 60 92.367 2.702 12.416 1.00 0.00 S ATOM 0 H CYS A 60 90.806 0.421 10.169 1.00 0.00 H new ATOM 0 HA CYS A 60 91.247 3.323 9.799 1.00 0.00 H new ATOM 0 HB2 CYS A 60 93.322 1.282 10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 60 93.626 2.975 10.374 1.00 0.00 H new ATOM 0 HG CYS A 60 93.404 2.671 13.199 1.00 0.00 H new ATOM 672 N TRP A 61 92.116 2.956 7.526 1.00 0.00 N ATOM 673 CA TRP A 61 92.483 2.748 6.132 1.00 0.00 C ATOM 674 C TRP A 61 93.842 3.367 5.852 1.00 0.00 C ATOM 675 O TRP A 61 94.005 4.594 5.865 1.00 0.00 O ATOM 676 CB TRP A 61 91.438 3.376 5.208 1.00 0.00 C ATOM 677 CG TRP A 61 91.700 2.938 3.805 1.00 0.00 C ATOM 678 CD1 TRP A 61 91.666 1.654 3.376 1.00 0.00 C ATOM 679 CD2 TRP A 61 92.037 3.750 2.643 1.00 0.00 C ATOM 680 NE1 TRP A 61 91.963 1.627 2.026 1.00 0.00 N ATOM 681 CE2 TRP A 61 92.199 2.891 1.531 1.00 0.00 C ATOM 682 CE3 TRP A 61 92.214 5.132 2.446 1.00 0.00 C ATOM 683 CZ2 TRP A 61 92.529 3.382 0.272 1.00 0.00 C ATOM 684 CZ3 TRP A 61 92.546 5.630 1.174 1.00 0.00 C ATOM 685 CH2 TRP A 61 92.704 4.756 0.090 1.00 0.00 C ATOM 0 H TRP A 61 91.930 3.928 7.773 1.00 0.00 H new ATOM 0 HA TRP A 61 92.528 1.675 5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 61 90.436 3.076 5.515 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.480 4.463 5.277 1.00 0.00 H new ATOM 0 HD1 TRP A 61 91.443 0.792 3.988 1.00 0.00 H new ATOM 0 HE1 TRP A 61 92.003 0.776 1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 61 92.094 5.813 3.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.649 2.705 -0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 92.680 6.692 1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.961 5.144 -0.885 1.00 0.00 H new ATOM 696 N LYS A 62 94.814 2.499 5.615 1.00 0.00 N ATOM 697 CA LYS A 62 96.173 2.937 5.338 1.00 0.00 C ATOM 698 C LYS A 62 96.502 2.803 3.857 1.00 0.00 C ATOM 699 O LYS A 62 96.209 1.788 3.230 1.00 0.00 O ATOM 700 CB LYS A 62 97.170 2.110 6.149 1.00 0.00 C ATOM 701 CG LYS A 62 98.562 2.739 6.041 1.00 0.00 C ATOM 702 CD LYS A 62 99.567 1.962 6.904 1.00 0.00 C ATOM 703 CE LYS A 62 99.961 0.644 6.222 1.00 0.00 C ATOM 704 NZ LYS A 62 101.089 0.015 6.973 1.00 0.00 N ATOM 0 H LYS A 62 94.687 1.487 5.609 1.00 0.00 H new ATOM 0 HA LYS A 62 96.247 3.987 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 62 96.859 2.067 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 62 97.193 1.084 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 62 98.889 2.739 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.524 3.780 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 62 100.456 2.570 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 99.132 1.756 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.107 -0.033 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.256 0.830 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 101.357 -0.878 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 101.905 0.660 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 100.791 -0.176 7.951 1.00 0.00 H new ATOM 718 N ASP A 63 97.128 3.837 3.314 1.00 0.00 N ATOM 719 CA ASP A 63 97.523 3.838 1.911 1.00 0.00 C ATOM 720 C ASP A 63 98.774 2.996 1.703 1.00 0.00 C ATOM 721 O ASP A 63 99.808 3.254 2.304 1.00 0.00 O ATOM 722 CB ASP A 63 97.776 5.268 1.423 1.00 0.00 C ATOM 723 CG ASP A 63 96.472 5.936 0.986 1.00 0.00 C ATOM 724 OD1 ASP A 63 95.434 5.306 1.087 1.00 0.00 O ATOM 725 OD2 ASP A 63 96.535 7.071 0.541 1.00 0.00 O ATOM 0 H ASP A 63 97.374 4.686 3.823 1.00 0.00 H new ATOM 0 HA ASP A 63 96.707 3.405 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 63 98.239 5.851 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 63 98.478 5.253 0.590 1.00 0.00 H new ATOM 730 N ARG A 64 98.662 1.992 0.846 1.00 0.00 N ATOM 731 CA ARG A 64 99.783 1.108 0.549 1.00 0.00 C ATOM 732 C ARG A 64 100.837 1.835 -0.284 1.00 0.00 C ATOM 733 O ARG A 64 102.036 1.670 -0.067 1.00 0.00 O ATOM 734 CB ARG A 64 99.289 -0.121 -0.218 1.00 0.00 C ATOM 735 CG ARG A 64 100.383 -1.192 -0.219 1.00 0.00 C ATOM 736 CD ARG A 64 100.122 -2.197 0.907 1.00 0.00 C ATOM 737 NE ARG A 64 101.176 -3.206 0.936 1.00 0.00 N ATOM 738 CZ ARG A 64 101.003 -4.363 1.567 1.00 0.00 C ATOM 739 NH1 ARG A 64 101.963 -5.248 1.583 1.00 0.00 N ATOM 740 NH2 ARG A 64 99.873 -4.615 2.169 1.00 0.00 N ATOM 0 H ARG A 64 97.804 1.767 0.342 1.00 0.00 H new ATOM 0 HA ARG A 64 100.232 0.796 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 64 98.382 -0.512 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 64 99.032 0.154 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 64 100.402 -1.705 -1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 64 101.360 -0.728 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 64 100.079 -1.678 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 64 99.154 -2.676 0.760 1.00 0.00 H new ATOM 0 HE ARG A 64 102.061 -3.020 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 64 102.846 -5.051 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 64 101.830 -6.136 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 64 99.123 -3.924 2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 64 99.740 -5.503 2.653 1.00 0.00 H new ATOM 754 N THR A 65 100.372 2.631 -1.246 1.00 0.00 N ATOM 755 CA THR A 65 101.276 3.371 -2.119 1.00 0.00 C ATOM 756 C THR A 65 102.118 4.361 -1.319 1.00 0.00 C ATOM 757 O THR A 65 103.302 4.549 -1.600 1.00 0.00 O ATOM 758 CB THR A 65 100.476 4.119 -3.190 1.00 0.00 C ATOM 759 OG1 THR A 65 101.286 5.138 -3.758 1.00 0.00 O ATOM 760 CG2 THR A 65 99.225 4.741 -2.566 1.00 0.00 C ATOM 0 H THR A 65 99.381 2.778 -1.438 1.00 0.00 H new ATOM 0 HA THR A 65 101.945 2.657 -2.599 1.00 0.00 H new ATOM 0 HB THR A 65 100.173 3.419 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 65 100.776 5.617 -4.445 1.00 0.00 H new ATOM 0 HG21 THR A 65 98.661 5.271 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 65 98.603 3.955 -2.137 1.00 0.00 H new ATOM 0 HG23 THR A 65 99.518 5.440 -1.783 1.00 0.00 H new ATOM 768 N SER A 66 101.504 4.994 -0.325 1.00 0.00 N ATOM 769 CA SER A 66 102.219 5.962 0.499 1.00 0.00 C ATOM 770 C SER A 66 102.669 5.326 1.807 1.00 0.00 C ATOM 771 O SER A 66 103.665 5.741 2.402 1.00 0.00 O ATOM 772 CB SER A 66 101.316 7.158 0.790 1.00 0.00 C ATOM 773 OG SER A 66 100.248 6.745 1.627 1.00 0.00 O ATOM 0 H SER A 66 100.525 4.857 -0.072 1.00 0.00 H new ATOM 0 HA SER A 66 103.102 6.297 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 66 101.887 7.950 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 66 100.926 7.569 -0.141 1.00 0.00 H new ATOM 0 HG SER A 66 99.667 7.511 1.818 1.00 0.00 H new ATOM 779 N GLY A 67 101.933 4.316 2.245 1.00 0.00 N ATOM 780 CA GLY A 67 102.268 3.625 3.483 1.00 0.00 C ATOM 781 C GLY A 67 101.911 4.481 4.689 1.00 0.00 C ATOM 782 O GLY A 67 102.327 4.194 5.814 1.00 0.00 O ATOM 0 H GLY A 67 101.106 3.958 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 67 101.733 2.677 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 67 103.333 3.391 3.499 1.00 0.00 H new ATOM 786 N ASN A 68 101.141 5.536 4.442 1.00 0.00 N ATOM 787 CA ASN A 68 100.731 6.443 5.514 1.00 0.00 C ATOM 788 C ASN A 68 99.236 6.323 5.795 1.00 0.00 C ATOM 789 O ASN A 68 98.445 6.049 4.893 1.00 0.00 O ATOM 790 CB ASN A 68 101.066 7.885 5.132 1.00 0.00 C ATOM 791 CG ASN A 68 102.576 8.053 4.999 1.00 0.00 C ATOM 792 OD1 ASN A 68 103.329 7.623 5.873 1.00 0.00 O ATOM 793 ND2 ASN A 68 103.066 8.652 3.949 1.00 0.00 N ATOM 0 H ASN A 68 100.789 5.785 3.517 1.00 0.00 H new ATOM 0 HA ASN A 68 101.274 6.166 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 68 100.579 8.143 4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 68 100.681 8.569 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 68 104.075 8.765 3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.440 9.007 3.226 1.00 0.00 H new ATOM 800 N VAL A 69 98.858 6.536 7.053 1.00 0.00 N ATOM 801 CA VAL A 69 97.457 6.457 7.443 1.00 0.00 C ATOM 802 C VAL A 69 96.662 7.590 6.810 1.00 0.00 C ATOM 803 O VAL A 69 97.126 8.728 6.745 1.00 0.00 O ATOM 804 CB VAL A 69 97.321 6.526 8.964 1.00 0.00 C ATOM 805 CG1 VAL A 69 97.531 5.134 9.563 1.00 0.00 C ATOM 806 CG2 VAL A 69 98.370 7.490 9.525 1.00 0.00 C ATOM 0 H VAL A 69 99.499 6.763 7.813 1.00 0.00 H new ATOM 0 HA VAL A 69 97.061 5.504 7.091 1.00 0.00 H new ATOM 0 HB VAL A 69 96.324 6.882 9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 69 97.434 5.186 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 69 96.783 4.449 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 69 98.527 4.773 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 69 98.275 7.541 10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 69 99.367 7.135 9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 69 98.216 8.482 9.101 1.00 0.00 H new ATOM 816 N GLU A 70 95.460 7.266 6.345 1.00 0.00 N ATOM 817 CA GLU A 70 94.596 8.258 5.714 1.00 0.00 C ATOM 818 C GLU A 70 93.326 8.467 6.528 1.00 0.00 C ATOM 819 O GLU A 70 92.865 9.598 6.697 1.00 0.00 O ATOM 820 CB GLU A 70 94.219 7.799 4.302 1.00 0.00 C ATOM 821 CG GLU A 70 95.375 8.057 3.333 1.00 0.00 C ATOM 822 CD GLU A 70 95.613 9.556 3.170 1.00 0.00 C ATOM 823 OE1 GLU A 70 94.686 10.242 2.772 1.00 0.00 O ATOM 824 OE2 GLU A 70 96.720 9.995 3.436 1.00 0.00 O ATOM 0 H GLU A 70 95.063 6.328 6.393 1.00 0.00 H new ATOM 0 HA GLU A 70 95.142 9.200 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 70 93.973 6.737 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 70 93.328 8.330 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 70 96.281 7.577 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 70 95.151 7.611 2.364 1.00 0.00 H new ATOM 831 N ASP A 71 92.756 7.375 7.026 1.00 0.00 N ATOM 832 CA ASP A 71 91.529 7.472 7.813 1.00 0.00 C ATOM 833 C ASP A 71 91.546 6.477 8.966 1.00 0.00 C ATOM 834 O ASP A 71 91.911 5.318 8.787 1.00 0.00 O ATOM 835 CB ASP A 71 90.314 7.207 6.922 1.00 0.00 C ATOM 836 CG ASP A 71 89.040 7.646 7.635 1.00 0.00 C ATOM 837 OD1 ASP A 71 89.148 8.193 8.720 1.00 0.00 O ATOM 838 OD2 ASP A 71 87.972 7.429 7.084 1.00 0.00 O ATOM 0 H ASP A 71 93.115 6.428 6.903 1.00 0.00 H new ATOM 0 HA ASP A 71 91.465 8.480 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 71 90.418 7.747 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 71 90.257 6.146 6.677 1.00 0.00 H new ATOM 843 N ASP A 72 91.149 6.937 10.148 1.00 0.00 N ATOM 844 CA ASP A 72 91.121 6.076 11.324 1.00 0.00 C ATOM 845 C ASP A 72 90.045 6.528 12.302 1.00 0.00 C ATOM 846 O ASP A 72 90.199 7.530 12.995 1.00 0.00 O ATOM 847 CB ASP A 72 92.496 6.073 11.992 1.00 0.00 C ATOM 848 CG ASP A 72 92.890 7.497 12.364 1.00 0.00 C ATOM 849 OD1 ASP A 72 92.164 8.406 11.990 1.00 0.00 O ATOM 850 OD2 ASP A 72 93.903 7.659 13.020 1.00 0.00 O ATOM 0 H ASP A 72 90.844 7.896 10.316 1.00 0.00 H new ATOM 0 HA ASP A 72 90.878 5.060 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 72 92.476 5.446 12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 72 93.238 5.645 11.318 1.00 0.00 H new ATOM 855 N LEU A 73 88.948 5.777 12.337 1.00 0.00 N ATOM 856 CA LEU A 73 87.835 6.107 13.216 1.00 0.00 C ATOM 857 C LEU A 73 87.170 4.837 13.749 1.00 0.00 C ATOM 858 O LEU A 73 87.038 3.835 13.036 1.00 0.00 O ATOM 859 CB LEU A 73 86.810 6.961 12.459 1.00 0.00 C ATOM 860 CG LEU A 73 85.602 7.236 13.355 1.00 0.00 C ATOM 861 CD1 LEU A 73 85.243 8.721 13.296 1.00 0.00 C ATOM 862 CD2 LEU A 73 84.412 6.403 12.876 1.00 0.00 C ATOM 0 H LEU A 73 88.808 4.941 11.770 1.00 0.00 H new ATOM 0 HA LEU A 73 88.219 6.674 14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 73 87.265 7.901 12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 73 86.492 6.446 11.553 1.00 0.00 H new ATOM 0 HG LEU A 73 85.846 6.966 14.382 1.00 0.00 H new ATOM 0 HD11 LEU A 73 84.382 8.913 13.936 1.00 0.00 H new ATOM 0 HD12 LEU A 73 86.090 9.314 13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 73 85.001 8.996 12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 73 83.550 6.599 13.514 1.00 0.00 H new ATOM 0 HD22 LEU A 73 84.170 6.672 11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 73 84.666 5.344 12.924 1.00 0.00 H new ATOM 874 N ILE A 74 86.749 4.891 15.007 1.00 0.00 N ATOM 875 CA ILE A 74 86.089 3.757 15.630 1.00 0.00 C ATOM 876 C ILE A 74 84.667 3.618 15.110 1.00 0.00 C ATOM 877 O ILE A 74 83.970 4.613 14.914 1.00 0.00 O ATOM 878 CB ILE A 74 86.061 3.938 17.148 1.00 0.00 C ATOM 879 CG1 ILE A 74 85.984 2.570 17.818 1.00 0.00 C ATOM 880 CG2 ILE A 74 84.839 4.761 17.560 1.00 0.00 C ATOM 881 CD1 ILE A 74 87.395 2.055 18.081 1.00 0.00 C ATOM 0 H ILE A 74 86.854 5.706 15.611 1.00 0.00 H new ATOM 0 HA ILE A 74 86.647 2.854 15.382 1.00 0.00 H new ATOM 0 HB ILE A 74 86.967 4.459 17.458 1.00 0.00 H new ATOM 0 HG12 ILE A 74 85.431 2.642 18.754 1.00 0.00 H new ATOM 0 HG13 ILE A 74 85.443 1.871 17.181 1.00 0.00 H new ATOM 0 HG21 ILE A 74 84.831 4.883 18.643 1.00 0.00 H new ATOM 0 HG22 ILE A 74 84.883 5.741 17.085 1.00 0.00 H new ATOM 0 HG23 ILE A 74 83.931 4.246 17.246 1.00 0.00 H new ATOM 0 HD11 ILE A 74 87.342 1.077 18.560 1.00 0.00 H new ATOM 0 HD12 ILE A 74 87.932 1.968 17.137 1.00 0.00 H new ATOM 0 HD13 ILE A 74 87.920 2.751 18.735 1.00 0.00 H new ATOM 893 N ILE A 75 84.239 2.381 14.891 1.00 0.00 N ATOM 894 CA ILE A 75 82.894 2.133 14.398 1.00 0.00 C ATOM 895 C ILE A 75 82.149 1.197 15.344 1.00 0.00 C ATOM 896 O ILE A 75 82.679 0.160 15.759 1.00 0.00 O ATOM 897 CB ILE A 75 82.952 1.531 12.999 1.00 0.00 C ATOM 898 CG1 ILE A 75 83.748 2.465 12.094 1.00 0.00 C ATOM 899 CG2 ILE A 75 81.536 1.410 12.446 1.00 0.00 C ATOM 900 CD1 ILE A 75 83.881 1.837 10.709 1.00 0.00 C ATOM 0 H ILE A 75 84.799 1.543 15.046 1.00 0.00 H new ATOM 0 HA ILE A 75 82.357 3.081 14.351 1.00 0.00 H new ATOM 0 HB ILE A 75 83.423 0.549 13.039 1.00 0.00 H new ATOM 0 HG12 ILE A 75 83.249 3.431 12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 75 84.735 2.647 12.519 1.00 0.00 H new ATOM 0 HG21 ILE A 75 81.572 0.980 11.445 1.00 0.00 H new ATOM 0 HG22 ILE A 75 80.945 0.766 13.097 1.00 0.00 H new ATOM 0 HG23 ILE A 75 81.078 2.398 12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 75 84.450 2.503 10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 75 84.399 0.881 10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 75 82.890 1.677 10.285 1.00 0.00 H new ATOM 912 N PHE A 76 80.922 1.567 15.697 1.00 0.00 N ATOM 913 CA PHE A 76 80.138 0.745 16.602 1.00 0.00 C ATOM 914 C PHE A 76 79.347 -0.313 15.822 1.00 0.00 C ATOM 915 O PHE A 76 78.972 -0.081 14.671 1.00 0.00 O ATOM 916 CB PHE A 76 79.182 1.618 17.419 1.00 0.00 C ATOM 917 CG PHE A 76 79.988 2.576 18.252 1.00 0.00 C ATOM 918 CD1 PHE A 76 80.650 3.638 17.634 1.00 0.00 C ATOM 919 CD2 PHE A 76 80.079 2.399 19.638 1.00 0.00 C ATOM 920 CE1 PHE A 76 81.412 4.524 18.397 1.00 0.00 C ATOM 921 CE2 PHE A 76 80.838 3.289 20.404 1.00 0.00 C ATOM 922 CZ PHE A 76 81.506 4.353 19.784 1.00 0.00 C ATOM 0 H PHE A 76 80.458 2.416 15.375 1.00 0.00 H new ATOM 0 HA PHE A 76 80.821 0.237 17.282 1.00 0.00 H new ATOM 0 HB2 PHE A 76 78.513 2.166 16.756 1.00 0.00 H new ATOM 0 HB3 PHE A 76 78.557 0.995 18.059 1.00 0.00 H new ATOM 0 HD1 PHE A 76 80.573 3.774 16.565 1.00 0.00 H new ATOM 0 HD2 PHE A 76 79.564 1.577 20.114 1.00 0.00 H new ATOM 0 HE1 PHE A 76 81.929 5.342 17.918 1.00 0.00 H new ATOM 0 HE2 PHE A 76 80.909 3.156 21.473 1.00 0.00 H new ATOM 0 HZ PHE A 76 82.093 5.041 20.375 1.00 0.00 H new ATOM 932 N PRO A 77 79.067 -1.458 16.411 1.00 0.00 N ATOM 933 CA PRO A 77 78.280 -2.529 15.721 1.00 0.00 C ATOM 934 C PRO A 77 76.938 -2.011 15.192 1.00 0.00 C ATOM 935 O PRO A 77 76.277 -1.204 15.841 1.00 0.00 O ATOM 936 CB PRO A 77 78.031 -3.563 16.822 1.00 0.00 C ATOM 937 CG PRO A 77 79.123 -3.361 17.809 1.00 0.00 C ATOM 938 CD PRO A 77 79.469 -1.875 17.771 1.00 0.00 C ATOM 0 HA PRO A 77 78.812 -2.921 14.854 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.054 -3.418 17.283 1.00 0.00 H new ATOM 0 HB3 PRO A 77 78.047 -4.576 16.420 1.00 0.00 H new ATOM 0 HG2 PRO A 77 78.804 -3.660 18.808 1.00 0.00 H new ATOM 0 HG3 PRO A 77 79.992 -3.969 17.557 1.00 0.00 H new ATOM 0 HD2 PRO A 77 78.929 -1.318 18.537 1.00 0.00 H new ATOM 0 HD3 PRO A 77 80.532 -1.706 17.944 1.00 0.00 H new ATOM 946 N ASP A 78 76.545 -2.498 14.016 1.00 0.00 N ATOM 947 CA ASP A 78 75.279 -2.101 13.401 1.00 0.00 C ATOM 948 C ASP A 78 75.349 -0.672 12.869 1.00 0.00 C ATOM 949 O ASP A 78 74.527 -0.269 12.047 1.00 0.00 O ATOM 950 CB ASP A 78 74.145 -2.197 14.425 1.00 0.00 C ATOM 951 CG ASP A 78 74.383 -3.384 15.352 1.00 0.00 C ATOM 952 OD1 ASP A 78 74.347 -4.505 14.870 1.00 0.00 O ATOM 953 OD2 ASP A 78 74.608 -3.154 16.528 1.00 0.00 O ATOM 0 H ASP A 78 77.085 -3.169 13.470 1.00 0.00 H new ATOM 0 HA ASP A 78 75.087 -2.778 12.568 1.00 0.00 H new ATOM 0 HB2 ASP A 78 74.089 -1.276 15.006 1.00 0.00 H new ATOM 0 HB3 ASP A 78 73.189 -2.310 13.913 1.00 0.00 H new ATOM 958 N ASP A 79 76.328 0.089 13.342 1.00 0.00 N ATOM 959 CA ASP A 79 76.485 1.468 12.902 1.00 0.00 C ATOM 960 C ASP A 79 76.841 1.520 11.418 1.00 0.00 C ATOM 961 O ASP A 79 76.426 2.433 10.704 1.00 0.00 O ATOM 962 CB ASP A 79 77.577 2.145 13.723 1.00 0.00 C ATOM 963 CG ASP A 79 77.481 3.660 13.583 1.00 0.00 C ATOM 964 OD1 ASP A 79 76.640 4.113 12.823 1.00 0.00 O ATOM 965 OD2 ASP A 79 78.245 4.346 14.241 1.00 0.00 O ATOM 0 H ASP A 79 77.019 -0.222 14.024 1.00 0.00 H new ATOM 0 HA ASP A 79 75.542 1.994 13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 79 77.481 1.863 14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 79 78.557 1.803 13.390 1.00 0.00 H new ATOM 970 N CYS A 80 77.624 0.542 10.970 1.00 0.00 N ATOM 971 CA CYS A 80 78.044 0.482 9.576 1.00 0.00 C ATOM 972 C CYS A 80 77.459 -0.745 8.887 1.00 0.00 C ATOM 973 O CYS A 80 77.707 -1.880 9.298 1.00 0.00 O ATOM 974 CB CYS A 80 79.569 0.435 9.496 1.00 0.00 C ATOM 975 SG CYS A 80 80.075 0.299 7.763 1.00 0.00 S ATOM 0 H CYS A 80 77.979 -0.217 11.552 1.00 0.00 H new ATOM 0 HA CYS A 80 77.678 1.374 9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 80 79.996 1.334 9.942 1.00 0.00 H new ATOM 0 HB3 CYS A 80 79.948 -0.414 10.065 1.00 0.00 H new ATOM 0 HG CYS A 80 81.372 0.261 7.691 1.00 0.00 H new ATOM 981 N GLU A 81 76.685 -0.509 7.833 1.00 0.00 N ATOM 982 CA GLU A 81 76.066 -1.600 7.082 1.00 0.00 C ATOM 983 C GLU A 81 76.763 -1.792 5.740 1.00 0.00 C ATOM 984 O GLU A 81 77.094 -0.821 5.061 1.00 0.00 O ATOM 985 CB GLU A 81 74.580 -1.309 6.851 1.00 0.00 C ATOM 986 CG GLU A 81 73.936 -2.493 6.130 1.00 0.00 C ATOM 987 CD GLU A 81 72.430 -2.282 6.021 1.00 0.00 C ATOM 988 OE1 GLU A 81 71.795 -2.149 7.054 1.00 0.00 O ATOM 989 OE2 GLU A 81 71.933 -2.255 4.907 1.00 0.00 O ATOM 0 H GLU A 81 76.471 0.423 7.479 1.00 0.00 H new ATOM 0 HA GLU A 81 76.167 -2.515 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 81 74.080 -1.134 7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.464 -0.402 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 81 74.369 -2.603 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 81 74.144 -3.416 6.672 1.00 0.00 H new ATOM 996 N PHE A 82 76.990 -3.048 5.366 1.00 0.00 N ATOM 997 CA PHE A 82 77.657 -3.347 4.103 1.00 0.00 C ATOM 998 C PHE A 82 76.649 -3.844 3.072 1.00 0.00 C ATOM 999 O PHE A 82 75.705 -4.560 3.407 1.00 0.00 O ATOM 1000 CB PHE A 82 78.729 -4.418 4.317 1.00 0.00 C ATOM 1001 CG PHE A 82 78.068 -5.767 4.486 1.00 0.00 C ATOM 1002 CD1 PHE A 82 77.886 -6.597 3.374 1.00 0.00 C ATOM 1003 CD2 PHE A 82 77.638 -6.186 5.751 1.00 0.00 C ATOM 1004 CE1 PHE A 82 77.275 -7.848 3.526 1.00 0.00 C ATOM 1005 CE2 PHE A 82 77.026 -7.436 5.903 1.00 0.00 C ATOM 1006 CZ PHE A 82 76.845 -8.267 4.791 1.00 0.00 C ATOM 0 H PHE A 82 76.725 -3.867 5.913 1.00 0.00 H new ATOM 0 HA PHE A 82 78.122 -2.432 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 82 79.411 -4.439 3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 82 79.325 -4.180 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 82 78.217 -6.273 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 82 77.778 -5.545 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 82 77.136 -8.489 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 82 76.693 -7.759 6.878 1.00 0.00 H new ATOM 0 HZ PHE A 82 76.374 -9.232 4.909 1.00 0.00 H new ATOM 1016 N LYS A 83 76.861 -3.459 1.818 1.00 0.00 N ATOM 1017 CA LYS A 83 75.972 -3.869 0.738 1.00 0.00 C ATOM 1018 C LYS A 83 76.766 -4.319 -0.478 1.00 0.00 C ATOM 1019 O LYS A 83 77.902 -3.894 -0.685 1.00 0.00 O ATOM 1020 CB LYS A 83 75.035 -2.718 0.353 1.00 0.00 C ATOM 1021 CG LYS A 83 73.900 -2.610 1.375 1.00 0.00 C ATOM 1022 CD LYS A 83 72.738 -3.515 0.956 1.00 0.00 C ATOM 1023 CE LYS A 83 71.610 -3.408 1.984 1.00 0.00 C ATOM 1024 NZ LYS A 83 70.469 -4.265 1.556 1.00 0.00 N ATOM 0 H LYS A 83 77.638 -2.866 1.525 1.00 0.00 H new ATOM 0 HA LYS A 83 75.376 -4.710 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.591 -1.782 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.625 -2.888 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 83 74.259 -2.898 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 83 73.561 -1.577 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 83 72.374 -3.225 -0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 83 73.077 -4.548 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.966 -3.721 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 83 71.286 -2.372 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.701 -4.194 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.125 -3.946 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.784 -5.254 1.488 1.00 0.00 H new ATOM 1038 N ARG A 84 76.155 -5.187 -1.276 1.00 0.00 N ATOM 1039 CA ARG A 84 76.805 -5.703 -2.476 1.00 0.00 C ATOM 1040 C ARG A 84 76.101 -5.182 -3.724 1.00 0.00 C ATOM 1041 O ARG A 84 74.888 -5.338 -3.870 1.00 0.00 O ATOM 1042 CB ARG A 84 76.771 -7.236 -2.475 1.00 0.00 C ATOM 1043 CG ARG A 84 77.495 -7.768 -3.715 1.00 0.00 C ATOM 1044 CD ARG A 84 77.543 -9.297 -3.668 1.00 0.00 C ATOM 1045 NE ARG A 84 76.199 -9.848 -3.790 1.00 0.00 N ATOM 1046 CZ ARG A 84 75.980 -11.154 -3.689 1.00 0.00 C ATOM 1047 NH1 ARG A 84 74.768 -11.624 -3.809 1.00 0.00 N ATOM 1048 NH2 ARG A 84 76.977 -11.967 -3.473 1.00 0.00 N ATOM 0 H ARG A 84 75.214 -5.547 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 84 77.841 -5.364 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 84 77.246 -7.619 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 84 75.739 -7.587 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 84 76.981 -7.438 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 84 78.506 -7.364 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 84 78.172 -9.673 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 84 77.995 -9.625 -2.732 1.00 0.00 H new ATOM 0 HE ARG A 84 75.413 -9.219 -3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 84 73.989 -10.988 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 84 74.600 -12.627 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 84 77.924 -11.600 -3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 84 76.809 -12.970 -3.395 1.00 0.00 H new ATOM 1062 N VAL A 85 76.871 -4.577 -4.624 1.00 0.00 N ATOM 1063 CA VAL A 85 76.311 -4.050 -5.864 1.00 0.00 C ATOM 1064 C VAL A 85 76.883 -4.809 -7.063 1.00 0.00 C ATOM 1065 O VAL A 85 77.924 -4.432 -7.600 1.00 0.00 O ATOM 1066 CB VAL A 85 76.636 -2.564 -5.992 1.00 0.00 C ATOM 1067 CG1 VAL A 85 76.024 -1.819 -4.808 1.00 0.00 C ATOM 1068 CG2 VAL A 85 78.157 -2.368 -5.999 1.00 0.00 C ATOM 0 H VAL A 85 77.876 -4.440 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 85 75.229 -4.180 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 85 76.224 -2.174 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 85 76.251 -0.756 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 85 74.943 -1.961 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 85 76.440 -2.208 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 85 78.387 -1.306 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 85 78.578 -2.751 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 85 78.589 -2.907 -6.842 1.00 0.00 H new ATOM 1078 N PRO A 86 76.232 -5.868 -7.497 1.00 0.00 N ATOM 1079 CA PRO A 86 76.703 -6.675 -8.657 1.00 0.00 C ATOM 1080 C PRO A 86 76.350 -6.017 -9.987 1.00 0.00 C ATOM 1081 O PRO A 86 75.176 -5.797 -10.289 1.00 0.00 O ATOM 1082 CB PRO A 86 75.976 -8.011 -8.484 1.00 0.00 C ATOM 1083 CG PRO A 86 74.724 -7.695 -7.731 1.00 0.00 C ATOM 1084 CD PRO A 86 74.982 -6.415 -6.932 1.00 0.00 C ATOM 0 HA PRO A 86 77.788 -6.782 -8.678 1.00 0.00 H new ATOM 0 HB2 PRO A 86 75.749 -8.461 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 86 76.592 -8.724 -7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 86 73.888 -7.558 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 86 74.459 -8.516 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 86 74.158 -5.710 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 86 75.087 -6.626 -5.868 1.00 0.00 H new ATOM 1092 N GLN A 87 77.371 -5.698 -10.775 1.00 0.00 N ATOM 1093 CA GLN A 87 77.152 -5.057 -12.064 1.00 0.00 C ATOM 1094 C GLN A 87 77.342 -6.056 -13.188 1.00 0.00 C ATOM 1095 O GLN A 87 76.633 -6.014 -14.194 1.00 0.00 O ATOM 1096 CB GLN A 87 78.133 -3.902 -12.255 1.00 0.00 C ATOM 1097 CG GLN A 87 78.499 -3.313 -10.892 1.00 0.00 C ATOM 1098 CD GLN A 87 79.672 -4.082 -10.296 1.00 0.00 C ATOM 1099 OE1 GLN A 87 79.480 -4.942 -9.435 1.00 0.00 O ATOM 1100 NE2 GLN A 87 80.883 -3.821 -10.704 1.00 0.00 N ATOM 0 H GLN A 87 78.350 -5.871 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 87 76.131 -4.675 -12.085 1.00 0.00 H new ATOM 0 HB2 GLN A 87 79.030 -4.254 -12.764 1.00 0.00 H new ATOM 0 HB3 GLN A 87 77.688 -3.134 -12.887 1.00 0.00 H new ATOM 0 HG2 GLN A 87 78.759 -2.260 -10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 87 77.641 -3.363 -10.222 1.00 0.00 H new ATOM 0 HE21 GLN A 87 81.038 -3.108 -11.417 1.00 0.00 H new ATOM 0 HE22 GLN A 87 81.675 -4.330 -10.310 1.00 0.00 H new ATOM 1109 N CYS A 88 78.302 -6.955 -13.016 1.00 0.00 N ATOM 1110 CA CYS A 88 78.569 -7.960 -14.035 1.00 0.00 C ATOM 1111 C CYS A 88 78.791 -9.340 -13.403 1.00 0.00 C ATOM 1112 O CYS A 88 79.255 -9.433 -12.265 1.00 0.00 O ATOM 1113 CB CYS A 88 79.797 -7.556 -14.857 1.00 0.00 C ATOM 1114 SG CYS A 88 81.185 -7.188 -13.755 1.00 0.00 S ATOM 0 H CYS A 88 78.901 -7.009 -12.192 1.00 0.00 H new ATOM 0 HA CYS A 88 77.700 -8.022 -14.690 1.00 0.00 H new ATOM 0 HB2 CYS A 88 80.068 -8.360 -15.541 1.00 0.00 H new ATOM 0 HB3 CYS A 88 79.565 -6.683 -15.468 1.00 0.00 H new ATOM 0 HG CYS A 88 81.936 -8.242 -13.636 1.00 0.00 H new ATOM 1120 N PRO A 89 78.485 -10.415 -14.110 1.00 0.00 N ATOM 1121 CA PRO A 89 78.683 -11.802 -13.578 1.00 0.00 C ATOM 1122 C PRO A 89 80.079 -12.009 -12.987 1.00 0.00 C ATOM 1123 O PRO A 89 80.239 -12.691 -11.975 1.00 0.00 O ATOM 1124 CB PRO A 89 78.510 -12.687 -14.814 1.00 0.00 C ATOM 1125 CG PRO A 89 77.628 -11.920 -15.736 1.00 0.00 C ATOM 1126 CD PRO A 89 77.902 -10.438 -15.472 1.00 0.00 C ATOM 0 HA PRO A 89 77.987 -12.023 -12.768 1.00 0.00 H new ATOM 0 HB2 PRO A 89 79.472 -12.902 -15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 89 78.062 -13.645 -14.550 1.00 0.00 H new ATOM 0 HG2 PRO A 89 77.839 -12.174 -16.775 1.00 0.00 H new ATOM 0 HG3 PRO A 89 76.580 -12.158 -15.557 1.00 0.00 H new ATOM 0 HD2 PRO A 89 78.591 -10.023 -16.208 1.00 0.00 H new ATOM 0 HD3 PRO A 89 76.987 -9.848 -15.524 1.00 0.00 H new ATOM 1134 N SER A 90 81.088 -11.424 -13.631 1.00 0.00 N ATOM 1135 CA SER A 90 82.464 -11.560 -13.160 1.00 0.00 C ATOM 1136 C SER A 90 82.916 -10.291 -12.444 1.00 0.00 C ATOM 1137 O SER A 90 82.802 -9.192 -12.985 1.00 0.00 O ATOM 1138 CB SER A 90 83.396 -11.834 -14.342 1.00 0.00 C ATOM 1139 OG SER A 90 84.739 -11.894 -13.875 1.00 0.00 O ATOM 0 H SER A 90 80.980 -10.857 -14.472 1.00 0.00 H new ATOM 0 HA SER A 90 82.505 -12.394 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 90 83.124 -12.773 -14.825 1.00 0.00 H new ATOM 0 HB3 SER A 90 83.294 -11.049 -15.091 1.00 0.00 H new ATOM 0 HG SER A 90 85.340 -12.071 -14.629 1.00 0.00 H new ATOM 1145 N GLY A 91 83.432 -10.453 -11.229 1.00 0.00 N ATOM 1146 CA GLY A 91 83.904 -9.317 -10.442 1.00 0.00 C ATOM 1147 C GLY A 91 83.200 -9.262 -9.091 1.00 0.00 C ATOM 1148 O GLY A 91 82.051 -9.685 -8.961 1.00 0.00 O ATOM 0 H GLY A 91 83.534 -11.357 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 91 84.981 -9.395 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 91 83.724 -8.391 -10.988 1.00 0.00 H new ATOM 1152 N ARG A 92 83.899 -8.738 -8.087 1.00 0.00 N ATOM 1153 CA ARG A 92 83.333 -8.629 -6.749 1.00 0.00 C ATOM 1154 C ARG A 92 83.578 -7.236 -6.177 1.00 0.00 C ATOM 1155 O ARG A 92 84.693 -6.717 -6.237 1.00 0.00 O ATOM 1156 CB ARG A 92 83.961 -9.681 -5.830 1.00 0.00 C ATOM 1157 CG ARG A 92 83.537 -11.077 -6.291 1.00 0.00 C ATOM 1158 CD ARG A 92 84.042 -12.122 -5.295 1.00 0.00 C ATOM 1159 NE ARG A 92 85.498 -12.201 -5.329 1.00 0.00 N ATOM 1160 CZ ARG A 92 86.167 -12.923 -4.436 1.00 0.00 C ATOM 1161 NH1 ARG A 92 87.469 -12.987 -4.492 1.00 0.00 N ATOM 1162 NH2 ARG A 92 85.521 -13.566 -3.502 1.00 0.00 N ATOM 0 H ARG A 92 84.852 -8.385 -8.175 1.00 0.00 H new ATOM 0 HA ARG A 92 82.258 -8.799 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 92 85.047 -9.594 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 92 83.646 -9.515 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 92 82.451 -11.131 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 92 83.940 -11.281 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 92 83.710 -11.864 -4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 92 83.614 -13.096 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 92 86.011 -11.694 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 92 87.973 -12.483 -5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 92 87.982 -13.541 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 92 84.503 -13.514 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 92 86.034 -14.120 -2.816 1.00 0.00 H new ATOM 1176 N VAL A 93 82.529 -6.636 -5.624 1.00 0.00 N ATOM 1177 CA VAL A 93 82.638 -5.301 -5.045 1.00 0.00 C ATOM 1178 C VAL A 93 81.641 -5.125 -3.906 1.00 0.00 C ATOM 1179 O VAL A 93 80.557 -5.713 -3.919 1.00 0.00 O ATOM 1180 CB VAL A 93 82.385 -4.241 -6.119 1.00 0.00 C ATOM 1181 CG1 VAL A 93 81.093 -4.567 -6.869 1.00 0.00 C ATOM 1182 CG2 VAL A 93 82.247 -2.868 -5.454 1.00 0.00 C ATOM 0 H VAL A 93 81.599 -7.050 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 93 83.646 -5.181 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 93 83.220 -4.231 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 93 80.915 -3.810 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 93 81.183 -5.545 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 93 80.258 -4.578 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 93 82.067 -2.111 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 93 81.411 -2.885 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 93 83.165 -2.630 -4.917 1.00 0.00 H new ATOM 1192 N TYR A 94 82.007 -4.311 -2.920 1.00 0.00 N ATOM 1193 CA TYR A 94 81.124 -4.072 -1.782 1.00 0.00 C ATOM 1194 C TYR A 94 81.185 -2.607 -1.363 1.00 0.00 C ATOM 1195 O TYR A 94 82.140 -1.898 -1.689 1.00 0.00 O ATOM 1196 CB TYR A 94 81.534 -4.957 -0.604 1.00 0.00 C ATOM 1197 CG TYR A 94 82.873 -4.500 -0.070 1.00 0.00 C ATOM 1198 CD1 TYR A 94 82.927 -3.581 0.984 1.00 0.00 C ATOM 1199 CD2 TYR A 94 84.057 -4.993 -0.630 1.00 0.00 C ATOM 1200 CE1 TYR A 94 84.165 -3.155 1.480 1.00 0.00 C ATOM 1201 CE2 TYR A 94 85.296 -4.568 -0.134 1.00 0.00 C ATOM 1202 CZ TYR A 94 85.350 -3.649 0.920 1.00 0.00 C ATOM 1203 OH TYR A 94 86.570 -3.228 1.407 1.00 0.00 O ATOM 0 H TYR A 94 82.896 -3.812 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 94 80.104 -4.316 -2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 94 80.781 -4.906 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 94 81.593 -5.998 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 94 82.013 -3.200 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 94 84.015 -5.701 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 94 84.206 -2.446 2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 94 86.210 -4.950 -0.565 1.00 0.00 H new ATOM 0 HH TYR A 94 87.290 -3.668 0.909 1.00 0.00 H new ATOM 1213 N VAL A 95 80.160 -2.154 -0.645 1.00 0.00 N ATOM 1214 CA VAL A 95 80.118 -0.764 -0.195 1.00 0.00 C ATOM 1215 C VAL A 95 79.671 -0.691 1.261 1.00 0.00 C ATOM 1216 O VAL A 95 78.805 -1.452 1.693 1.00 0.00 O ATOM 1217 CB VAL A 95 79.152 0.036 -1.075 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.717 -0.405 -0.786 1.00 0.00 C ATOM 1219 CG2 VAL A 95 79.297 1.535 -0.785 1.00 0.00 C ATOM 0 H VAL A 95 79.358 -2.719 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 95 81.118 -0.338 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 95 79.387 -0.148 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 95 77.029 0.163 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.612 -1.468 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 95 77.486 -0.226 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 95 78.607 2.096 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 95 79.069 1.726 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 95 80.319 1.849 -0.997 1.00 0.00 H new ATOM 1229 N LEU A 96 80.265 0.234 2.011 1.00 0.00 N ATOM 1230 CA LEU A 96 79.916 0.405 3.415 1.00 0.00 C ATOM 1231 C LEU A 96 79.056 1.641 3.599 1.00 0.00 C ATOM 1232 O LEU A 96 79.268 2.651 2.935 1.00 0.00 O ATOM 1233 CB LEU A 96 81.188 0.538 4.256 1.00 0.00 C ATOM 1234 CG LEU A 96 81.974 -0.773 4.209 1.00 0.00 C ATOM 1235 CD1 LEU A 96 83.312 -0.593 4.927 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.174 -1.889 4.895 1.00 0.00 C ATOM 0 H LEU A 96 80.985 0.872 1.671 1.00 0.00 H new ATOM 0 HA LEU A 96 79.354 -0.470 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.802 1.355 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.931 0.783 5.287 1.00 0.00 H new ATOM 0 HG LEU A 96 82.150 -1.045 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 96 83.872 -1.528 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 96 83.886 0.192 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 96 83.133 -0.315 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 81.741 -2.819 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.990 -1.618 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 96 80.222 -2.023 4.381 1.00 0.00 H new ATOM 1248 N LYS A 97 78.081 1.551 4.497 1.00 0.00 N ATOM 1249 CA LYS A 97 77.193 2.669 4.754 1.00 0.00 C ATOM 1250 C LYS A 97 77.289 3.087 6.212 1.00 0.00 C ATOM 1251 O LYS A 97 76.947 2.321 7.107 1.00 0.00 O ATOM 1252 CB LYS A 97 75.761 2.262 4.428 1.00 0.00 C ATOM 1253 CG LYS A 97 74.828 3.455 4.640 1.00 0.00 C ATOM 1254 CD LYS A 97 73.414 3.075 4.211 1.00 0.00 C ATOM 1255 CE LYS A 97 72.466 4.244 4.489 1.00 0.00 C ATOM 1256 NZ LYS A 97 72.898 5.435 3.701 1.00 0.00 N ATOM 0 H LYS A 97 77.889 0.718 5.054 1.00 0.00 H new ATOM 0 HA LYS A 97 77.485 3.511 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.696 1.916 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 97 75.455 1.431 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 97 74.834 3.754 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 97 75.177 4.311 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 97 73.399 2.825 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 97 73.084 2.188 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 97 71.445 3.969 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 97 72.465 4.480 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 72.108 6.108 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 73.701 5.894 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 73.187 5.135 2.748 1.00 0.00 H new ATOM 1270 N PHE A 98 77.751 4.309 6.445 1.00 0.00 N ATOM 1271 CA PHE A 98 77.887 4.817 7.802 1.00 0.00 C ATOM 1272 C PHE A 98 76.607 5.513 8.237 1.00 0.00 C ATOM 1273 O PHE A 98 76.278 6.586 7.742 1.00 0.00 O ATOM 1274 CB PHE A 98 79.051 5.805 7.862 1.00 0.00 C ATOM 1275 CG PHE A 98 80.352 5.045 7.807 1.00 0.00 C ATOM 1276 CD1 PHE A 98 80.789 4.491 6.598 1.00 0.00 C ATOM 1277 CD2 PHE A 98 81.129 4.906 8.961 1.00 0.00 C ATOM 1278 CE1 PHE A 98 81.997 3.788 6.546 1.00 0.00 C ATOM 1279 CE2 PHE A 98 82.339 4.205 8.909 1.00 0.00 C ATOM 1280 CZ PHE A 98 82.774 3.648 7.701 1.00 0.00 C ATOM 0 H PHE A 98 78.036 4.963 5.716 1.00 0.00 H new ATOM 0 HA PHE A 98 78.079 3.981 8.474 1.00 0.00 H new ATOM 0 HB2 PHE A 98 78.991 6.507 7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 98 78.998 6.392 8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 98 80.193 4.607 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 98 80.795 5.340 9.892 1.00 0.00 H new ATOM 0 HE1 PHE A 98 82.330 3.354 5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 98 82.937 4.094 9.801 1.00 0.00 H new ATOM 0 HZ PHE A 98 83.710 3.110 7.660 1.00 0.00 H new ATOM 1290 N LYS A 99 75.883 4.896 9.160 1.00 0.00 N ATOM 1291 CA LYS A 99 74.634 5.479 9.636 1.00 0.00 C ATOM 1292 C LYS A 99 74.906 6.646 10.580 1.00 0.00 C ATOM 1293 O LYS A 99 73.994 7.392 10.938 1.00 0.00 O ATOM 1294 CB LYS A 99 73.793 4.421 10.352 1.00 0.00 C ATOM 1295 CG LYS A 99 73.398 3.330 9.357 1.00 0.00 C ATOM 1296 CD LYS A 99 72.464 2.329 10.040 1.00 0.00 C ATOM 1297 CE LYS A 99 72.074 1.236 9.044 1.00 0.00 C ATOM 1298 NZ LYS A 99 71.125 0.288 9.695 1.00 0.00 N ATOM 0 H LYS A 99 76.133 4.005 9.590 1.00 0.00 H new ATOM 0 HA LYS A 99 74.083 5.850 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.358 3.989 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 99 72.901 4.878 10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 99 72.904 3.773 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 99 74.288 2.820 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 99 72.957 1.888 10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 99 71.572 2.838 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 99 71.613 1.680 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 99 72.963 0.703 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 70.859 -0.456 9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 71.580 -0.144 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 70.273 0.802 9.997 1.00 0.00 H new ATOM 1312 N ALA A 100 76.162 6.794 10.987 1.00 0.00 N ATOM 1313 CA ALA A 100 76.539 7.872 11.893 1.00 0.00 C ATOM 1314 C ALA A 100 77.032 9.094 11.120 1.00 0.00 C ATOM 1315 O ALA A 100 77.140 10.188 11.675 1.00 0.00 O ATOM 1316 CB ALA A 100 77.638 7.387 12.838 1.00 0.00 C ATOM 0 H ALA A 100 76.931 6.186 10.706 1.00 0.00 H new ATOM 0 HA ALA A 100 75.658 8.161 12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 100 77.919 8.194 13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 100 77.272 6.539 13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 100 78.508 7.081 12.257 1.00 0.00 H new ATOM 1322 N GLY A 101 77.336 8.903 9.839 1.00 0.00 N ATOM 1323 CA GLY A 101 77.821 10.002 9.006 1.00 0.00 C ATOM 1324 C GLY A 101 77.254 9.913 7.593 1.00 0.00 C ATOM 1325 O GLY A 101 77.618 10.700 6.717 1.00 0.00 O ATOM 0 H GLY A 101 77.257 8.007 9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 101 77.539 10.954 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 101 78.910 9.979 8.966 1.00 0.00 H new ATOM 1329 N SER A 102 76.370 8.948 7.374 1.00 0.00 N ATOM 1330 CA SER A 102 75.763 8.758 6.061 1.00 0.00 C ATOM 1331 C SER A 102 76.837 8.735 4.979 1.00 0.00 C ATOM 1332 O SER A 102 76.604 9.165 3.850 1.00 0.00 O ATOM 1333 CB SER A 102 74.773 9.883 5.778 1.00 0.00 C ATOM 1334 OG SER A 102 73.816 9.940 6.829 1.00 0.00 O ATOM 0 H SER A 102 76.058 8.287 8.085 1.00 0.00 H new ATOM 0 HA SER A 102 75.236 7.804 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 102 75.299 10.834 5.697 1.00 0.00 H new ATOM 0 HB3 SER A 102 74.274 9.713 4.824 1.00 0.00 H new ATOM 0 HG SER A 102 73.179 10.663 6.652 1.00 0.00 H new ATOM 1340 N LYS A 103 78.013 8.228 5.335 1.00 0.00 N ATOM 1341 CA LYS A 103 79.123 8.152 4.392 1.00 0.00 C ATOM 1342 C LYS A 103 79.103 6.826 3.638 1.00 0.00 C ATOM 1343 O LYS A 103 78.803 5.781 4.215 1.00 0.00 O ATOM 1344 CB LYS A 103 80.453 8.281 5.130 1.00 0.00 C ATOM 1345 CG LYS A 103 81.568 8.570 4.122 1.00 0.00 C ATOM 1346 CD LYS A 103 82.890 7.999 4.639 1.00 0.00 C ATOM 1347 CE LYS A 103 83.255 8.670 5.966 1.00 0.00 C ATOM 1348 NZ LYS A 103 84.592 8.190 6.414 1.00 0.00 N ATOM 0 H LYS A 103 78.221 7.865 6.265 1.00 0.00 H new ATOM 0 HA LYS A 103 79.014 8.971 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 103 80.397 9.083 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 103 80.670 7.362 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 103 81.322 8.128 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 103 81.661 9.645 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 103 82.803 6.921 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 103 83.680 8.164 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 103 83.267 9.753 5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 103 82.503 8.441 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 84.840 8.646 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 84.565 7.158 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 85.305 8.430 5.697 1.00 0.00 H new ATOM 1362 N ARG A 104 79.431 6.881 2.349 1.00 0.00 N ATOM 1363 CA ARG A 104 79.458 5.679 1.522 1.00 0.00 C ATOM 1364 C ARG A 104 80.851 5.459 0.934 1.00 0.00 C ATOM 1365 O ARG A 104 81.361 6.296 0.190 1.00 0.00 O ATOM 1366 CB ARG A 104 78.432 5.799 0.391 1.00 0.00 C ATOM 1367 CG ARG A 104 77.032 5.987 0.984 1.00 0.00 C ATOM 1368 CD ARG A 104 76.693 7.476 1.055 1.00 0.00 C ATOM 1369 NE ARG A 104 76.311 7.968 -0.264 1.00 0.00 N ATOM 1370 CZ ARG A 104 75.087 7.764 -0.740 1.00 0.00 C ATOM 1371 NH1 ARG A 104 74.762 8.214 -1.920 1.00 0.00 N ATOM 1372 NH2 ARG A 104 74.211 7.111 -0.025 1.00 0.00 N ATOM 0 H ARG A 104 79.680 7.740 1.858 1.00 0.00 H new ATOM 0 HA ARG A 104 79.206 4.824 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 104 78.682 6.643 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 104 78.457 4.905 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 104 76.295 5.466 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 104 76.987 5.547 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 104 75.879 7.638 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 104 77.552 8.035 1.425 1.00 0.00 H new ATOM 0 HE ARG A 104 76.992 8.475 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 104 75.447 8.723 -2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 104 73.822 8.057 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 104 74.467 6.758 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 104 73.271 6.954 -0.389 1.00 0.00 H new ATOM 1386 N LEU A 105 81.453 4.321 1.274 1.00 0.00 N ATOM 1387 CA LEU A 105 82.785 3.982 0.779 1.00 0.00 C ATOM 1388 C LEU A 105 82.721 2.759 -0.126 1.00 0.00 C ATOM 1389 O LEU A 105 81.999 1.804 0.158 1.00 0.00 O ATOM 1390 CB LEU A 105 83.722 3.701 1.956 1.00 0.00 C ATOM 1391 CG LEU A 105 83.817 4.943 2.849 1.00 0.00 C ATOM 1392 CD1 LEU A 105 84.674 4.631 4.075 1.00 0.00 C ATOM 1393 CD2 LEU A 105 84.455 6.099 2.068 1.00 0.00 C ATOM 0 H LEU A 105 81.040 3.620 1.889 1.00 0.00 H new ATOM 0 HA LEU A 105 83.167 4.826 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 105 83.352 2.854 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 105 84.711 3.429 1.589 1.00 0.00 H new ATOM 0 HG LEU A 105 82.814 5.229 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 105 84.740 5.516 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.220 3.815 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.674 4.339 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.520 6.979 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.455 5.811 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.844 6.330 1.195 1.00 0.00 H new ATOM 1405 N PHE A 106 83.479 2.800 -1.218 1.00 0.00 N ATOM 1406 CA PHE A 106 83.501 1.694 -2.167 1.00 0.00 C ATOM 1407 C PHE A 106 84.892 1.067 -2.230 1.00 0.00 C ATOM 1408 O PHE A 106 85.885 1.756 -2.453 1.00 0.00 O ATOM 1409 CB PHE A 106 83.118 2.200 -3.558 1.00 0.00 C ATOM 1410 CG PHE A 106 82.328 3.480 -3.430 1.00 0.00 C ATOM 1411 CD1 PHE A 106 82.999 4.689 -3.212 1.00 0.00 C ATOM 1412 CD2 PHE A 106 80.932 3.464 -3.537 1.00 0.00 C ATOM 1413 CE1 PHE A 106 82.276 5.882 -3.096 1.00 0.00 C ATOM 1414 CE2 PHE A 106 80.208 4.656 -3.422 1.00 0.00 C ATOM 1415 CZ PHE A 106 80.880 5.866 -3.204 1.00 0.00 C ATOM 0 H PHE A 106 84.083 3.584 -1.466 1.00 0.00 H new ATOM 0 HA PHE A 106 82.786 0.941 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 106 84.015 2.372 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 106 82.528 1.447 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 106 84.076 4.701 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 106 80.414 2.532 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 106 82.794 6.814 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 106 79.131 4.643 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 106 80.321 6.786 -3.119 1.00 0.00 H new ATOM 1425 N PHE A 107 84.949 -0.244 -2.029 1.00 0.00 N ATOM 1426 CA PHE A 107 86.216 -0.967 -2.067 1.00 0.00 C ATOM 1427 C PHE A 107 86.048 -2.336 -2.719 1.00 0.00 C ATOM 1428 O PHE A 107 84.936 -2.854 -2.843 1.00 0.00 O ATOM 1429 CB PHE A 107 86.788 -1.126 -0.658 1.00 0.00 C ATOM 1430 CG PHE A 107 87.539 0.122 -0.262 1.00 0.00 C ATOM 1431 CD1 PHE A 107 86.854 1.230 0.256 1.00 0.00 C ATOM 1432 CD2 PHE A 107 88.930 0.164 -0.406 1.00 0.00 C ATOM 1433 CE1 PHE A 107 87.567 2.379 0.629 1.00 0.00 C ATOM 1434 CE2 PHE A 107 89.640 1.312 -0.034 1.00 0.00 C ATOM 1435 CZ PHE A 107 88.959 2.419 0.484 1.00 0.00 C ATOM 0 H PHE A 107 84.135 -0.828 -1.838 1.00 0.00 H new ATOM 0 HA PHE A 107 86.914 -0.383 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.982 -1.316 0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 107 87.454 -1.988 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 107 85.780 1.199 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 107 89.457 -0.690 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.042 3.234 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 107 90.714 1.343 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 107 89.507 3.304 0.772 1.00 0.00 H new ATOM 1445 N TRP A 108 87.168 -2.911 -3.142 1.00 0.00 N ATOM 1446 CA TRP A 108 87.155 -4.210 -3.792 1.00 0.00 C ATOM 1447 C TRP A 108 88.395 -5.014 -3.407 1.00 0.00 C ATOM 1448 O TRP A 108 89.417 -4.455 -3.013 1.00 0.00 O ATOM 1449 CB TRP A 108 87.091 -4.024 -5.316 1.00 0.00 C ATOM 1450 CG TRP A 108 88.206 -3.136 -5.773 1.00 0.00 C ATOM 1451 CD1 TRP A 108 88.381 -1.846 -5.395 1.00 0.00 C ATOM 1452 CD2 TRP A 108 89.281 -3.429 -6.716 1.00 0.00 C ATOM 1453 NE1 TRP A 108 89.512 -1.346 -6.011 1.00 0.00 N ATOM 1454 CE2 TRP A 108 90.099 -2.280 -6.836 1.00 0.00 C ATOM 1455 CE3 TRP A 108 89.637 -4.574 -7.454 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 91.216 -2.260 -7.668 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 90.763 -4.554 -8.298 1.00 0.00 C ATOM 1458 CH2 TRP A 108 91.553 -3.399 -8.398 1.00 0.00 C ATOM 0 H TRP A 108 88.095 -2.496 -3.045 1.00 0.00 H new ATOM 0 HA TRP A 108 86.275 -4.762 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 108 87.160 -4.992 -5.812 1.00 0.00 H new ATOM 0 HB3 TRP A 108 86.131 -3.590 -5.597 1.00 0.00 H new ATOM 0 HD1 TRP A 108 87.740 -1.298 -4.721 1.00 0.00 H new ATOM 0 HE1 TRP A 108 89.869 -0.401 -5.872 1.00 0.00 H new ATOM 0 HE3 TRP A 108 89.043 -5.472 -7.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 91.818 -1.367 -7.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 91.020 -5.432 -8.872 1.00 0.00 H new ATOM 0 HH2 TRP A 108 92.421 -3.392 -9.040 1.00 0.00 H new ATOM 1469 N MET A 109 88.273 -6.332 -3.508 1.00 0.00 N ATOM 1470 CA MET A 109 89.363 -7.236 -3.153 1.00 0.00 C ATOM 1471 C MET A 109 90.422 -7.268 -4.247 1.00 0.00 C ATOM 1472 O MET A 109 90.657 -8.305 -4.866 1.00 0.00 O ATOM 1473 CB MET A 109 88.824 -8.649 -2.910 1.00 0.00 C ATOM 1474 CG MET A 109 87.562 -8.570 -2.043 1.00 0.00 C ATOM 1475 SD MET A 109 87.947 -7.802 -0.445 1.00 0.00 S ATOM 1476 CE MET A 109 88.487 -9.294 0.430 1.00 0.00 C ATOM 0 H MET A 109 87.428 -6.801 -3.834 1.00 0.00 H new ATOM 0 HA MET A 109 89.823 -6.866 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 109 88.596 -9.132 -3.860 1.00 0.00 H new ATOM 0 HB3 MET A 109 89.580 -9.259 -2.416 1.00 0.00 H new ATOM 0 HG2 MET A 109 86.794 -7.992 -2.557 1.00 0.00 H new ATOM 0 HG3 MET A 109 87.157 -9.570 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 109 89.092 -9.012 1.292 1.00 0.00 H new ATOM 0 HE2 MET A 109 87.615 -9.854 0.767 1.00 0.00 H new ATOM 0 HE3 MET A 109 89.080 -9.915 -0.241 1.00 0.00 H new ATOM 1486 N GLN A 110 91.051 -6.122 -4.491 1.00 0.00 N ATOM 1487 CA GLN A 110 92.076 -6.034 -5.526 1.00 0.00 C ATOM 1488 C GLN A 110 93.243 -6.931 -5.177 1.00 0.00 C ATOM 1489 O GLN A 110 94.164 -7.107 -5.973 1.00 0.00 O ATOM 1490 CB GLN A 110 92.585 -4.594 -5.637 1.00 0.00 C ATOM 1491 CG GLN A 110 93.615 -4.314 -4.531 1.00 0.00 C ATOM 1492 CD GLN A 110 95.011 -4.691 -5.016 1.00 0.00 C ATOM 1493 OE1 GLN A 110 95.666 -5.547 -4.421 1.00 0.00 O ATOM 1494 NE2 GLN A 110 95.501 -4.104 -6.071 1.00 0.00 N ATOM 0 H GLN A 110 90.872 -5.250 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 110 91.638 -6.348 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 110 93.037 -4.434 -6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 110 91.751 -3.897 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 110 93.588 -3.260 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 110 93.365 -4.884 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 110 94.954 -3.395 -6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 110 96.431 -4.353 -6.407 1.00 0.00 H new ATOM 1503 N GLU A 111 93.222 -7.477 -3.975 1.00 0.00 N ATOM 1504 CA GLU A 111 94.309 -8.325 -3.541 1.00 0.00 C ATOM 1505 C GLU A 111 94.444 -9.538 -4.469 1.00 0.00 C ATOM 1506 O GLU A 111 93.447 -10.009 -5.018 1.00 0.00 O ATOM 1507 CB GLU A 111 94.054 -8.783 -2.108 1.00 0.00 C ATOM 1508 CG GLU A 111 92.882 -9.770 -2.073 1.00 0.00 C ATOM 1509 CD GLU A 111 92.477 -10.041 -0.629 1.00 0.00 C ATOM 1510 OE1 GLU A 111 91.809 -9.196 -0.056 1.00 0.00 O ATOM 1511 OE2 GLU A 111 92.847 -11.083 -0.114 1.00 0.00 O ATOM 0 H GLU A 111 92.474 -7.349 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 111 95.240 -7.760 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 111 94.950 -9.255 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 111 93.834 -7.922 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 111 92.036 -9.364 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 111 93.165 -10.702 -2.562 1.00 0.00 H new ATOM 1518 N PRO A 112 95.640 -10.063 -4.660 1.00 0.00 N ATOM 1519 CA PRO A 112 95.852 -11.256 -5.545 1.00 0.00 C ATOM 1520 C PRO A 112 94.914 -12.421 -5.214 1.00 0.00 C ATOM 1521 O PRO A 112 94.359 -13.049 -6.113 1.00 0.00 O ATOM 1522 CB PRO A 112 97.299 -11.663 -5.253 1.00 0.00 C ATOM 1523 CG PRO A 112 97.975 -10.418 -4.799 1.00 0.00 C ATOM 1524 CD PRO A 112 96.917 -9.583 -4.086 1.00 0.00 C ATOM 0 HA PRO A 112 95.652 -11.014 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 112 97.343 -12.436 -4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 112 97.780 -12.069 -6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 112 98.803 -10.649 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 112 98.393 -9.873 -5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 112 96.951 -9.732 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 112 97.061 -8.518 -4.266 1.00 0.00 H new ATOM 1532 N LYS A 113 94.748 -12.706 -3.925 1.00 0.00 N ATOM 1533 CA LYS A 113 93.886 -13.796 -3.492 1.00 0.00 C ATOM 1534 C LYS A 113 93.931 -13.921 -1.974 1.00 0.00 C ATOM 1535 O LYS A 113 94.515 -13.083 -1.288 1.00 0.00 O ATOM 1536 CB LYS A 113 94.340 -15.113 -4.122 1.00 0.00 C ATOM 1537 CG LYS A 113 95.867 -15.196 -4.076 1.00 0.00 C ATOM 1538 CD LYS A 113 96.297 -16.657 -3.964 1.00 0.00 C ATOM 1539 CE LYS A 113 96.332 -17.069 -2.489 1.00 0.00 C ATOM 1540 NZ LYS A 113 96.715 -18.504 -2.380 1.00 0.00 N ATOM 0 H LYS A 113 95.199 -12.197 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 113 92.866 -13.580 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 113 93.902 -15.955 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 113 93.992 -15.175 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 113 96.293 -14.749 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 113 96.247 -14.628 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 113 95.604 -17.294 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 113 97.281 -16.793 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 113 97.045 -16.450 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 113 95.356 -16.907 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 95.953 -19.032 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 96.870 -18.895 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 97.590 -18.589 -1.824 1.00 0.00 H new ATOM 1554 N THR A 114 93.314 -14.973 -1.462 1.00 0.00 N ATOM 1555 CA THR A 114 93.289 -15.212 -0.023 1.00 0.00 C ATOM 1556 C THR A 114 92.748 -16.605 0.281 1.00 0.00 C ATOM 1557 O THR A 114 92.943 -17.131 1.377 1.00 0.00 O ATOM 1558 CB THR A 114 92.413 -14.165 0.666 1.00 0.00 C ATOM 1559 OG1 THR A 114 91.956 -14.679 1.910 1.00 0.00 O ATOM 1560 CG2 THR A 114 91.215 -13.837 -0.224 1.00 0.00 C ATOM 0 H THR A 114 92.824 -15.675 -2.017 1.00 0.00 H new ATOM 0 HA THR A 114 94.309 -15.139 0.354 1.00 0.00 H new ATOM 0 HB THR A 114 92.994 -13.259 0.838 1.00 0.00 H new ATOM 0 HG1 THR A 114 91.158 -14.186 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 114 90.590 -13.091 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 114 91.567 -13.445 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 114 90.632 -14.741 -0.397 1.00 0.00 H new ATOM 1568 N ASP A 115 92.060 -17.192 -0.694 1.00 0.00 N ATOM 1569 CA ASP A 115 91.487 -18.528 -0.529 1.00 0.00 C ATOM 1570 C ASP A 115 90.469 -18.542 0.611 1.00 0.00 C ATOM 1571 O ASP A 115 89.844 -19.566 0.885 1.00 0.00 O ATOM 1572 CB ASP A 115 92.594 -19.546 -0.235 1.00 0.00 C ATOM 1573 CG ASP A 115 93.704 -19.421 -1.271 1.00 0.00 C ATOM 1574 OD1 ASP A 115 93.391 -19.431 -2.451 1.00 0.00 O ATOM 1575 OD2 ASP A 115 94.851 -19.314 -0.871 1.00 0.00 O ATOM 0 H ASP A 115 91.885 -16.767 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 115 90.983 -18.798 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 115 92.997 -19.379 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 115 92.184 -20.556 -0.249 1.00 0.00 H new ATOM 1580 N GLN A 116 90.310 -17.399 1.270 1.00 0.00 N ATOM 1581 CA GLN A 116 89.372 -17.287 2.379 1.00 0.00 C ATOM 1582 C GLN A 116 88.582 -15.990 2.274 1.00 0.00 C ATOM 1583 O GLN A 116 88.139 -15.442 3.281 1.00 0.00 O ATOM 1584 CB GLN A 116 90.126 -17.329 3.708 1.00 0.00 C ATOM 1585 CG GLN A 116 90.666 -18.741 3.942 1.00 0.00 C ATOM 1586 CD GLN A 116 91.567 -18.758 5.171 1.00 0.00 C ATOM 1587 OE1 GLN A 116 92.343 -17.827 5.387 1.00 0.00 O ATOM 1588 NE2 GLN A 116 91.506 -19.765 5.999 1.00 0.00 N ATOM 0 H GLN A 116 90.817 -16.540 1.056 1.00 0.00 H new ATOM 0 HA GLN A 116 88.678 -18.126 2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 116 90.946 -16.611 3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 116 89.463 -17.042 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 116 89.839 -19.438 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 116 91.224 -19.075 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 116 90.862 -20.535 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 116 92.102 -19.782 6.827 1.00 0.00 H new ATOM 1597 N ASP A 117 88.419 -15.500 1.055 1.00 0.00 N ATOM 1598 CA ASP A 117 87.691 -14.258 0.842 1.00 0.00 C ATOM 1599 C ASP A 117 86.265 -14.370 1.369 1.00 0.00 C ATOM 1600 O ASP A 117 85.764 -13.454 2.019 1.00 0.00 O ATOM 1601 CB ASP A 117 87.652 -13.920 -0.650 1.00 0.00 C ATOM 1602 CG ASP A 117 86.910 -12.605 -0.873 1.00 0.00 C ATOM 1603 OD1 ASP A 117 86.395 -12.065 0.094 1.00 0.00 O ATOM 1604 OD2 ASP A 117 86.863 -12.160 -2.008 1.00 0.00 O ATOM 0 H ASP A 117 88.777 -15.938 0.206 1.00 0.00 H new ATOM 0 HA ASP A 117 88.208 -13.466 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 117 88.667 -13.844 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 117 87.159 -14.722 -1.199 1.00 0.00 H new ATOM 1609 N GLU A 118 85.618 -15.495 1.084 1.00 0.00 N ATOM 1610 CA GLU A 118 84.251 -15.709 1.532 1.00 0.00 C ATOM 1611 C GLU A 118 84.188 -15.735 3.049 1.00 0.00 C ATOM 1612 O GLU A 118 83.326 -15.103 3.656 1.00 0.00 O ATOM 1613 CB GLU A 118 83.727 -17.032 0.969 1.00 0.00 C ATOM 1614 CG GLU A 118 82.272 -17.238 1.400 1.00 0.00 C ATOM 1615 CD GLU A 118 81.707 -18.492 0.743 1.00 0.00 C ATOM 1616 OE1 GLU A 118 82.427 -19.114 -0.022 1.00 0.00 O ATOM 1617 OE2 GLU A 118 80.561 -18.814 1.013 1.00 0.00 O ATOM 0 H GLU A 118 86.016 -16.266 0.549 1.00 0.00 H new ATOM 0 HA GLU A 118 83.630 -14.889 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 118 83.797 -17.028 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 118 84.342 -17.859 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 118 82.215 -17.328 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 118 81.675 -16.370 1.120 1.00 0.00 H new ATOM 1624 N GLU A 119 85.109 -16.470 3.656 1.00 0.00 N ATOM 1625 CA GLU A 119 85.145 -16.571 5.100 1.00 0.00 C ATOM 1626 C GLU A 119 85.487 -15.225 5.725 1.00 0.00 C ATOM 1627 O GLU A 119 84.916 -14.839 6.743 1.00 0.00 O ATOM 1628 CB GLU A 119 86.176 -17.619 5.534 1.00 0.00 C ATOM 1629 CG GLU A 119 85.680 -19.017 5.151 1.00 0.00 C ATOM 1630 CD GLU A 119 86.749 -20.060 5.466 1.00 0.00 C ATOM 1631 OE1 GLU A 119 87.859 -19.666 5.782 1.00 0.00 O ATOM 1632 OE2 GLU A 119 86.441 -21.238 5.388 1.00 0.00 O ATOM 0 H GLU A 119 85.834 -17.000 3.172 1.00 0.00 H new ATOM 0 HA GLU A 119 84.157 -16.877 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 119 87.136 -17.419 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 119 86.337 -17.561 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 119 84.765 -19.248 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 119 85.435 -19.046 4.089 1.00 0.00 H new ATOM 1639 N HIS A 120 86.422 -14.516 5.108 1.00 0.00 N ATOM 1640 CA HIS A 120 86.840 -13.215 5.615 1.00 0.00 C ATOM 1641 C HIS A 120 85.698 -12.211 5.534 1.00 0.00 C ATOM 1642 O HIS A 120 85.421 -11.494 6.491 1.00 0.00 O ATOM 1643 CB HIS A 120 88.024 -12.699 4.796 1.00 0.00 C ATOM 1644 CG HIS A 120 89.240 -13.538 5.076 1.00 0.00 C ATOM 1645 ND1 HIS A 120 90.455 -13.310 4.450 1.00 0.00 N ATOM 1646 CD2 HIS A 120 89.442 -14.619 5.902 1.00 0.00 C ATOM 1647 CE1 HIS A 120 91.326 -14.229 4.905 1.00 0.00 C ATOM 1648 NE2 HIS A 120 90.760 -15.052 5.792 1.00 0.00 N ATOM 0 H HIS A 120 86.903 -14.817 4.261 1.00 0.00 H new ATOM 0 HA HIS A 120 87.133 -13.331 6.659 1.00 0.00 H new ATOM 0 HB2 HIS A 120 87.785 -12.732 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 120 88.224 -11.657 5.046 1.00 0.00 H new ATOM 0 HD2 HIS A 120 88.692 -15.064 6.539 1.00 0.00 H new ATOM 0 HE1 HIS A 120 92.357 -14.293 4.591 1.00 0.00 H new ATOM 0 HE2 HIS A 120 91.199 -15.831 6.283 1.00 0.00 H new ATOM 1656 N CYS A 121 85.036 -12.176 4.385 1.00 0.00 N ATOM 1657 CA CYS A 121 83.923 -11.263 4.188 1.00 0.00 C ATOM 1658 C CYS A 121 82.787 -11.599 5.144 1.00 0.00 C ATOM 1659 O CYS A 121 82.235 -10.721 5.806 1.00 0.00 O ATOM 1660 CB CYS A 121 83.422 -11.347 2.743 1.00 0.00 C ATOM 1661 SG CYS A 121 82.048 -10.192 2.511 1.00 0.00 S ATOM 0 H CYS A 121 85.250 -12.766 3.581 1.00 0.00 H new ATOM 0 HA CYS A 121 84.268 -10.249 4.390 1.00 0.00 H new ATOM 0 HB2 CYS A 121 84.231 -11.109 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 121 83.099 -12.363 2.518 1.00 0.00 H new ATOM 0 HG CYS A 121 81.624 -10.262 1.284 1.00 0.00 H new ATOM 1667 N ARG A 122 82.439 -12.880 5.205 1.00 0.00 N ATOM 1668 CA ARG A 122 81.356 -13.326 6.076 1.00 0.00 C ATOM 1669 C ARG A 122 81.700 -13.074 7.536 1.00 0.00 C ATOM 1670 O ARG A 122 80.876 -12.589 8.309 1.00 0.00 O ATOM 1671 CB ARG A 122 81.098 -14.821 5.863 1.00 0.00 C ATOM 1672 CG ARG A 122 79.807 -15.230 6.577 1.00 0.00 C ATOM 1673 CD ARG A 122 79.415 -16.648 6.155 1.00 0.00 C ATOM 1674 NE ARG A 122 78.132 -17.012 6.747 1.00 0.00 N ATOM 1675 CZ ARG A 122 77.386 -17.983 6.228 1.00 0.00 C ATOM 1676 NH1 ARG A 122 76.244 -18.292 6.778 1.00 0.00 N ATOM 1677 NH2 ARG A 122 77.794 -18.622 5.166 1.00 0.00 N ATOM 0 H ARG A 122 82.886 -13.622 4.667 1.00 0.00 H new ATOM 0 HA ARG A 122 80.459 -12.760 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 122 81.020 -15.038 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 122 81.937 -15.403 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 122 79.947 -15.187 7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 122 79.007 -14.532 6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 122 79.353 -16.708 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 122 80.183 -17.355 6.470 1.00 0.00 H new ATOM 0 HE ARG A 122 77.802 -16.513 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 122 75.924 -17.789 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 122 75.671 -19.037 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 122 78.685 -18.377 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 122 77.222 -19.367 4.768 1.00 0.00 H new ATOM 1691 N LYS A 123 82.928 -13.415 7.907 1.00 0.00 N ATOM 1692 CA LYS A 123 83.383 -13.232 9.280 1.00 0.00 C ATOM 1693 C LYS A 123 83.432 -11.756 9.632 1.00 0.00 C ATOM 1694 O LYS A 123 83.022 -11.353 10.719 1.00 0.00 O ATOM 1695 CB LYS A 123 84.770 -13.859 9.458 1.00 0.00 C ATOM 1696 CG LYS A 123 85.174 -13.839 10.941 1.00 0.00 C ATOM 1697 CD LYS A 123 85.758 -15.200 11.338 1.00 0.00 C ATOM 1698 CE LYS A 123 84.617 -16.200 11.548 1.00 0.00 C ATOM 1699 NZ LYS A 123 84.140 -16.118 12.957 1.00 0.00 N ATOM 0 H LYS A 123 83.624 -13.818 7.280 1.00 0.00 H new ATOM 0 HA LYS A 123 82.678 -13.725 9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 123 84.764 -14.885 9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 123 85.504 -13.312 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 123 85.908 -13.053 11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 123 84.307 -13.610 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 123 86.433 -15.559 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 123 86.345 -15.104 12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 123 83.798 -15.983 10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 123 84.959 -17.211 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 83.365 -16.797 13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 84.923 -16.345 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 83.798 -15.155 13.152 1.00 0.00 H new ATOM 1713 N VAL A 124 83.919 -10.955 8.698 1.00 0.00 N ATOM 1714 CA VAL A 124 84.000 -9.526 8.913 1.00 0.00 C ATOM 1715 C VAL A 124 82.604 -8.960 9.073 1.00 0.00 C ATOM 1716 O VAL A 124 82.365 -8.093 9.916 1.00 0.00 O ATOM 1717 CB VAL A 124 84.710 -8.853 7.735 1.00 0.00 C ATOM 1718 CG1 VAL A 124 84.582 -7.334 7.861 1.00 0.00 C ATOM 1719 CG2 VAL A 124 86.190 -9.240 7.753 1.00 0.00 C ATOM 0 H VAL A 124 84.261 -11.271 7.790 1.00 0.00 H new ATOM 0 HA VAL A 124 84.573 -9.332 9.819 1.00 0.00 H new ATOM 0 HB VAL A 124 84.255 -9.179 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 124 85.088 -6.855 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 124 83.528 -7.056 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 124 85.039 -7.007 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 124 86.701 -8.764 6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 124 86.641 -8.910 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 124 86.284 -10.323 7.667 1.00 0.00 H new ATOM 1729 N ASN A 125 81.681 -9.450 8.256 1.00 0.00 N ATOM 1730 CA ASN A 125 80.314 -8.971 8.316 1.00 0.00 C ATOM 1731 C ASN A 125 79.699 -9.252 9.685 1.00 0.00 C ATOM 1732 O ASN A 125 79.014 -8.400 10.252 1.00 0.00 O ATOM 1733 CB ASN A 125 79.469 -9.637 7.232 1.00 0.00 C ATOM 1734 CG ASN A 125 79.861 -9.100 5.861 1.00 0.00 C ATOM 1735 OD1 ASN A 125 80.300 -7.955 5.744 1.00 0.00 O ATOM 1736 ND2 ASN A 125 79.738 -9.865 4.814 1.00 0.00 N ATOM 0 H ASN A 125 81.854 -10.169 7.554 1.00 0.00 H new ATOM 0 HA ASN A 125 80.329 -7.894 8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 125 79.610 -10.717 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 125 78.411 -9.448 7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 125 80.006 -9.517 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 125 79.374 -10.813 4.915 1.00 0.00 H new ATOM 1743 N GLU A 126 79.953 -10.445 10.211 1.00 0.00 N ATOM 1744 CA GLU A 126 79.419 -10.821 11.516 1.00 0.00 C ATOM 1745 C GLU A 126 80.036 -9.972 12.622 1.00 0.00 C ATOM 1746 O GLU A 126 79.342 -9.532 13.540 1.00 0.00 O ATOM 1747 CB GLU A 126 79.705 -12.297 11.785 1.00 0.00 C ATOM 1748 CG GLU A 126 78.891 -13.160 10.819 1.00 0.00 C ATOM 1749 CD GLU A 126 77.408 -13.069 11.161 1.00 0.00 C ATOM 1750 OE1 GLU A 126 77.100 -12.611 12.249 1.00 0.00 O ATOM 1751 OE2 GLU A 126 76.603 -13.457 10.332 1.00 0.00 O ATOM 0 H GLU A 126 80.520 -11.163 9.759 1.00 0.00 H new ATOM 0 HA GLU A 126 78.342 -10.650 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 126 80.769 -12.500 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 126 79.450 -12.546 12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 126 79.057 -12.829 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 126 79.223 -14.197 10.877 1.00 0.00 H new ATOM 1758 N TYR A 127 81.342 -9.743 12.528 1.00 0.00 N ATOM 1759 CA TYR A 127 82.032 -8.938 13.531 1.00 0.00 C ATOM 1760 C TYR A 127 81.477 -7.522 13.572 1.00 0.00 C ATOM 1761 O TYR A 127 81.245 -6.962 14.646 1.00 0.00 O ATOM 1762 CB TYR A 127 83.529 -8.882 13.226 1.00 0.00 C ATOM 1763 CG TYR A 127 84.249 -9.947 14.014 1.00 0.00 C ATOM 1764 CD1 TYR A 127 84.823 -11.047 13.364 1.00 0.00 C ATOM 1765 CD2 TYR A 127 84.349 -9.825 15.403 1.00 0.00 C ATOM 1766 CE1 TYR A 127 85.495 -12.023 14.107 1.00 0.00 C ATOM 1767 CE2 TYR A 127 85.020 -10.800 16.147 1.00 0.00 C ATOM 1768 CZ TYR A 127 85.595 -11.901 15.499 1.00 0.00 C ATOM 1769 OH TYR A 127 86.260 -12.861 16.234 1.00 0.00 O ATOM 0 H TYR A 127 81.937 -10.097 11.779 1.00 0.00 H new ATOM 0 HA TYR A 127 81.872 -9.407 14.502 1.00 0.00 H new ATOM 0 HB2 TYR A 127 83.698 -9.029 12.159 1.00 0.00 H new ATOM 0 HB3 TYR A 127 83.925 -7.899 13.479 1.00 0.00 H new ATOM 0 HD1 TYR A 127 84.747 -11.141 12.291 1.00 0.00 H new ATOM 0 HD2 TYR A 127 83.907 -8.976 15.902 1.00 0.00 H new ATOM 0 HE1 TYR A 127 85.937 -12.872 13.607 1.00 0.00 H new ATOM 0 HE2 TYR A 127 85.095 -10.705 17.220 1.00 0.00 H new ATOM 0 HH TYR A 127 86.236 -12.621 17.184 1.00 0.00 H new ATOM 1779 N LEU A 128 81.269 -6.944 12.398 1.00 0.00 N ATOM 1780 CA LEU A 128 80.746 -5.586 12.314 1.00 0.00 C ATOM 1781 C LEU A 128 79.254 -5.564 12.641 1.00 0.00 C ATOM 1782 O LEU A 128 78.716 -4.540 13.061 1.00 0.00 O ATOM 1783 CB LEU A 128 80.977 -5.022 10.910 1.00 0.00 C ATOM 1784 CG LEU A 128 81.444 -3.564 11.011 1.00 0.00 C ATOM 1785 CD1 LEU A 128 82.853 -3.500 11.618 1.00 0.00 C ATOM 1786 CD2 LEU A 128 81.468 -2.941 9.614 1.00 0.00 C ATOM 0 H LEU A 128 81.452 -7.388 11.498 1.00 0.00 H new ATOM 0 HA LEU A 128 81.272 -4.968 13.041 1.00 0.00 H new ATOM 0 HB2 LEU A 128 81.724 -5.618 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 128 80.057 -5.080 10.328 1.00 0.00 H new ATOM 0 HG LEU A 128 80.754 -3.014 11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 128 83.174 -2.460 11.685 1.00 0.00 H new ATOM 0 HD12 LEU A 128 82.840 -3.940 12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 128 83.547 -4.054 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 128 81.800 -1.905 9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 128 82.155 -3.500 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 128 80.467 -2.974 9.184 1.00 0.00 H new ATOM 1798 N ASN A 129 78.598 -6.703 12.448 1.00 0.00 N ATOM 1799 CA ASN A 129 77.173 -6.812 12.729 1.00 0.00 C ATOM 1800 C ASN A 129 76.939 -7.512 14.062 1.00 0.00 C ATOM 1801 O ASN A 129 75.799 -7.785 14.440 1.00 0.00 O ATOM 1802 CB ASN A 129 76.484 -7.595 11.611 1.00 0.00 C ATOM 1803 CG ASN A 129 74.974 -7.573 11.813 1.00 0.00 C ATOM 1804 OD1 ASN A 129 74.397 -6.522 12.090 1.00 0.00 O ATOM 1805 ND2 ASN A 129 74.298 -8.683 11.696 1.00 0.00 N ATOM 0 H ASN A 129 79.029 -7.560 12.100 1.00 0.00 H new ATOM 0 HA ASN A 129 76.754 -5.807 12.784 1.00 0.00 H new ATOM 0 HB2 ASN A 129 76.736 -7.161 10.643 1.00 0.00 H new ATOM 0 HB3 ASN A 129 76.843 -8.624 11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 129 73.287 -8.682 11.834 1.00 0.00 H new ATOM 0 HD22 ASN A 129 74.780 -9.552 11.466 1.00 0.00 H new ATOM 1812 N ASN A 130 78.024 -7.797 14.771 1.00 0.00 N ATOM 1813 CA ASN A 130 77.920 -8.463 16.061 1.00 0.00 C ATOM 1814 C ASN A 130 77.175 -7.586 17.061 1.00 0.00 C ATOM 1815 O ASN A 130 77.794 -6.689 17.609 1.00 0.00 O ATOM 1816 CB ASN A 130 79.315 -8.784 16.600 1.00 0.00 C ATOM 1817 CG ASN A 130 79.221 -9.835 17.701 1.00 0.00 C ATOM 1818 OD1 ASN A 130 78.397 -10.746 17.623 1.00 0.00 O ATOM 1819 ND2 ASN A 130 80.018 -9.759 18.732 1.00 0.00 N ATOM 1820 OXT ASN A 130 75.995 -7.821 17.263 1.00 0.00 O ATOM 0 H ASN A 130 78.976 -7.580 14.478 1.00 0.00 H new ATOM 0 HA ASN A 130 77.363 -9.390 15.924 1.00 0.00 H new ATOM 0 HB2 ASN A 130 79.951 -9.147 15.793 1.00 0.00 H new ATOM 0 HB3 ASN A 130 79.780 -7.879 16.989 1.00 0.00 H new ATOM 0 HD21 ASN A 130 79.959 -10.455 19.475 1.00 0.00 H new ATOM 0 HD22 ASN A 130 80.700 -9.003 18.795 1.00 0.00 H new TER 1827 ASN A 130 ATOM 1828 N GLN B 940 99.403 -11.040 -15.155 1.00 0.00 N ATOM 1829 CA GLN B 940 99.579 -11.556 -13.770 1.00 0.00 C ATOM 1830 C GLN B 940 99.069 -10.521 -12.786 1.00 0.00 C ATOM 1831 O GLN B 940 99.681 -10.297 -11.741 1.00 0.00 O ATOM 1832 CB GLN B 940 101.058 -11.831 -13.506 1.00 0.00 C ATOM 1833 CG GLN B 940 101.514 -13.007 -14.365 1.00 0.00 C ATOM 1834 CD GLN B 940 102.978 -13.321 -14.082 1.00 0.00 C ATOM 1835 OE1 GLN B 940 103.398 -13.339 -12.925 1.00 0.00 O ATOM 1836 NE2 GLN B 940 103.785 -13.573 -15.076 1.00 0.00 N ATOM 0 HA GLN B 940 99.018 -12.483 -13.651 1.00 0.00 H new ATOM 0 HB2 GLN B 940 101.651 -10.946 -13.737 1.00 0.00 H new ATOM 0 HB3 GLN B 940 101.215 -12.054 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN B 940 100.899 -13.882 -14.155 1.00 0.00 H new ATOM 0 HG3 GLN B 940 101.382 -12.770 -15.421 1.00 0.00 H new ATOM 0 HE21 GLN B 940 103.435 -13.558 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN B 940 104.766 -13.785 -14.895 1.00 0.00 H new ATOM 1847 N GLU B 941 97.949 -9.892 -13.122 1.00 0.00 N ATOM 1848 CA GLU B 941 97.371 -8.878 -12.248 1.00 0.00 C ATOM 1849 C GLU B 941 95.878 -9.135 -12.017 1.00 0.00 C ATOM 1850 O GLU B 941 95.201 -9.680 -12.893 1.00 0.00 O ATOM 1851 CB GLU B 941 97.559 -7.484 -12.857 1.00 0.00 C ATOM 1852 CG GLU B 941 99.048 -7.135 -12.891 1.00 0.00 C ATOM 1853 CD GLU B 941 99.753 -7.958 -13.962 1.00 0.00 C ATOM 1854 OE1 GLU B 941 99.066 -8.496 -14.816 1.00 0.00 O ATOM 1855 OE2 GLU B 941 100.969 -8.043 -13.913 1.00 0.00 O ATOM 0 H GLU B 941 97.428 -10.063 -13.982 1.00 0.00 H new ATOM 0 HA GLU B 941 97.887 -8.931 -11.289 1.00 0.00 H new ATOM 0 HB2 GLU B 941 97.146 -7.458 -13.865 1.00 0.00 H new ATOM 0 HB3 GLU B 941 97.015 -6.744 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU B 941 99.176 -6.072 -13.095 1.00 0.00 H new ATOM 0 HG3 GLU B 941 99.498 -7.329 -11.917 1.00 0.00 H new ATOM 1862 N PRO B 942 95.344 -8.742 -10.872 1.00 0.00 N ATOM 1863 CA PRO B 942 93.890 -8.924 -10.564 1.00 0.00 C ATOM 1864 C PRO B 942 93.001 -8.466 -11.718 1.00 0.00 C ATOM 1865 O PRO B 942 93.497 -8.084 -12.780 1.00 0.00 O ATOM 1866 CB PRO B 942 93.662 -8.038 -9.334 1.00 0.00 C ATOM 1867 CG PRO B 942 94.985 -7.930 -8.660 1.00 0.00 C ATOM 1868 CD PRO B 942 96.055 -8.100 -9.742 1.00 0.00 C ATOM 0 HA PRO B 942 93.638 -9.971 -10.397 1.00 0.00 H new ATOM 0 HB2 PRO B 942 93.290 -7.055 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO B 942 92.919 -8.477 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO B 942 95.088 -6.964 -8.165 1.00 0.00 H new ATOM 0 HG3 PRO B 942 95.089 -8.695 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO B 942 96.479 -7.139 -10.035 1.00 0.00 H new ATOM 0 HD3 PRO B 942 96.880 -8.719 -9.390 1.00 0.00 H new ATOM 1876 N GLU B 943 91.688 -8.506 -11.502 1.00 0.00 N ATOM 1877 CA GLU B 943 90.736 -8.089 -12.528 1.00 0.00 C ATOM 1878 C GLU B 943 89.935 -6.893 -12.028 1.00 0.00 C ATOM 1879 O GLU B 943 88.857 -7.054 -11.446 1.00 0.00 O ATOM 1880 CB GLU B 943 89.788 -9.239 -12.863 1.00 0.00 C ATOM 1881 CG GLU B 943 90.604 -10.427 -13.377 1.00 0.00 C ATOM 1882 CD GLU B 943 91.232 -11.186 -12.210 1.00 0.00 C ATOM 1883 OE1 GLU B 943 90.959 -10.830 -11.075 1.00 0.00 O ATOM 1884 OE2 GLU B 943 91.978 -12.116 -12.469 1.00 0.00 O ATOM 0 H GLU B 943 91.261 -8.821 -10.631 1.00 0.00 H new ATOM 0 HA GLU B 943 91.284 -7.808 -13.427 1.00 0.00 H new ATOM 0 HB2 GLU B 943 89.220 -9.528 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU B 943 89.066 -8.924 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU B 943 89.963 -11.096 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU B 943 91.384 -10.076 -14.052 1.00 0.00 H new ATOM 1891 N PRO B 944 90.448 -5.699 -12.215 1.00 0.00 N ATOM 1892 CA PRO B 944 89.767 -4.460 -11.745 1.00 0.00 C ATOM 1893 C PRO B 944 88.318 -4.339 -12.250 1.00 0.00 C ATOM 1894 O PRO B 944 88.059 -4.529 -13.440 1.00 0.00 O ATOM 1895 CB PRO B 944 90.626 -3.337 -12.328 1.00 0.00 C ATOM 1896 CG PRO B 944 91.973 -3.937 -12.522 1.00 0.00 C ATOM 1897 CD PRO B 944 91.730 -5.396 -12.879 1.00 0.00 C ATOM 0 HA PRO B 944 89.685 -4.440 -10.658 1.00 0.00 H new ATOM 0 HB2 PRO B 944 90.216 -2.977 -13.271 1.00 0.00 H new ATOM 0 HB3 PRO B 944 90.669 -2.483 -11.652 1.00 0.00 H new ATOM 0 HG2 PRO B 944 92.518 -3.426 -13.316 1.00 0.00 H new ATOM 0 HG3 PRO B 944 92.573 -3.851 -11.616 1.00 0.00 H new ATOM 0 HD2 PRO B 944 91.669 -5.541 -13.958 1.00 0.00 H new ATOM 0 HD3 PRO B 944 92.533 -6.038 -12.516 1.00 0.00 H new ATOM 1905 N PRO B 945 87.373 -4.007 -11.383 1.00 0.00 N ATOM 1906 CA PRO B 945 85.942 -3.833 -11.779 1.00 0.00 C ATOM 1907 C PRO B 945 85.803 -2.952 -13.014 1.00 0.00 C ATOM 1908 O PRO B 945 86.801 -2.539 -13.605 1.00 0.00 O ATOM 1909 CB PRO B 945 85.295 -3.161 -10.569 1.00 0.00 C ATOM 1910 CG PRO B 945 86.146 -3.526 -9.405 1.00 0.00 C ATOM 1911 CD PRO B 945 87.555 -3.776 -9.938 1.00 0.00 C ATOM 0 HA PRO B 945 85.476 -4.783 -12.038 1.00 0.00 H new ATOM 0 HB2 PRO B 945 85.251 -2.080 -10.698 1.00 0.00 H new ATOM 0 HB3 PRO B 945 84.271 -3.507 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO B 945 86.151 -2.725 -8.665 1.00 0.00 H new ATOM 0 HG3 PRO B 945 85.759 -4.416 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO B 945 88.206 -2.922 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO B 945 88.014 -4.638 -9.454 1.00 0.00 H new ATOM 1919 N GLU B 946 84.562 -2.664 -13.398 1.00 0.00 N ATOM 1920 CA GLU B 946 84.308 -1.831 -14.560 1.00 0.00 C ATOM 1921 C GLU B 946 83.526 -0.579 -14.150 1.00 0.00 C ATOM 1922 O GLU B 946 82.740 -0.626 -13.200 1.00 0.00 O ATOM 1923 CB GLU B 946 83.525 -2.621 -15.613 1.00 0.00 C ATOM 1924 CG GLU B 946 82.233 -3.170 -15.002 1.00 0.00 C ATOM 1925 CD GLU B 946 81.486 -3.998 -16.043 1.00 0.00 C ATOM 1926 OE1 GLU B 946 81.102 -3.435 -17.055 1.00 0.00 O ATOM 1927 OE2 GLU B 946 81.321 -5.185 -15.819 1.00 0.00 O ATOM 0 H GLU B 946 83.723 -2.995 -12.921 1.00 0.00 H new ATOM 0 HA GLU B 946 85.262 -1.524 -14.989 1.00 0.00 H new ATOM 0 HB2 GLU B 946 83.291 -1.979 -16.462 1.00 0.00 H new ATOM 0 HB3 GLU B 946 84.135 -3.441 -15.992 1.00 0.00 H new ATOM 0 HG2 GLU B 946 82.463 -3.784 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU B 946 81.605 -2.349 -14.656 1.00 0.00 H new ATOM 1934 N PRO B 947 83.711 0.532 -14.829 1.00 0.00 N ATOM 1935 CA PRO B 947 82.988 1.797 -14.492 1.00 0.00 C ATOM 1936 C PRO B 947 81.473 1.603 -14.350 1.00 0.00 C ATOM 1937 O PRO B 947 80.822 1.078 -15.253 1.00 0.00 O ATOM 1938 CB PRO B 947 83.269 2.698 -15.700 1.00 0.00 C ATOM 1939 CG PRO B 947 84.551 2.207 -16.283 1.00 0.00 C ATOM 1940 CD PRO B 947 84.632 0.717 -15.973 1.00 0.00 C ATOM 0 HA PRO B 947 83.322 2.197 -13.534 1.00 0.00 H new ATOM 0 HB2 PRO B 947 82.460 2.639 -16.428 1.00 0.00 H new ATOM 0 HB3 PRO B 947 83.351 3.742 -15.398 1.00 0.00 H new ATOM 0 HG2 PRO B 947 84.578 2.380 -17.359 1.00 0.00 H new ATOM 0 HG3 PRO B 947 85.400 2.738 -15.853 1.00 0.00 H new ATOM 0 HD2 PRO B 947 84.328 0.115 -16.830 1.00 0.00 H new ATOM 0 HD3 PRO B 947 85.649 0.418 -15.718 1.00 0.00 H new ATOM 1948 N PHE B 948 80.901 2.065 -13.229 1.00 0.00 N ATOM 1949 CA PHE B 948 79.455 1.963 -13.038 1.00 0.00 C ATOM 1950 C PHE B 948 78.994 3.075 -12.102 1.00 0.00 C ATOM 1951 O PHE B 948 79.728 3.463 -11.202 1.00 0.00 O ATOM 1952 CB PHE B 948 79.090 0.601 -12.444 1.00 0.00 C ATOM 1953 CG PHE B 948 79.442 0.576 -10.978 1.00 0.00 C ATOM 1954 CD1 PHE B 948 78.518 1.051 -10.045 1.00 0.00 C ATOM 1955 CD2 PHE B 948 80.672 0.061 -10.548 1.00 0.00 C ATOM 1956 CE1 PHE B 948 78.820 1.023 -8.681 1.00 0.00 C ATOM 1957 CE2 PHE B 948 80.975 0.032 -9.181 1.00 0.00 C ATOM 1958 CZ PHE B 948 80.048 0.512 -8.248 1.00 0.00 C ATOM 0 H PHE B 948 81.407 2.503 -12.459 1.00 0.00 H new ATOM 0 HA PHE B 948 78.959 2.064 -14.003 1.00 0.00 H new ATOM 0 HB2 PHE B 948 78.025 0.410 -12.576 1.00 0.00 H new ATOM 0 HB3 PHE B 948 79.624 -0.191 -12.970 1.00 0.00 H new ATOM 0 HD1 PHE B 948 77.568 1.441 -10.378 1.00 0.00 H new ATOM 0 HD2 PHE B 948 81.384 -0.313 -11.269 1.00 0.00 H new ATOM 0 HE1 PHE B 948 78.106 1.396 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE B 948 81.924 -0.361 -8.846 1.00 0.00 H new ATOM 0 HZ PHE B 948 80.281 0.488 -7.194 1.00 0.00 H new ATOM 1968 N GLU B 949 77.796 3.594 -12.322 1.00 0.00 N ATOM 1969 CA GLU B 949 77.284 4.670 -11.492 1.00 0.00 C ATOM 1970 C GLU B 949 76.592 4.124 -10.249 1.00 0.00 C ATOM 1971 O GLU B 949 75.752 3.228 -10.337 1.00 0.00 O ATOM 1972 CB GLU B 949 76.281 5.493 -12.301 1.00 0.00 C ATOM 1973 CG GLU B 949 76.947 6.011 -13.579 1.00 0.00 C ATOM 1974 CD GLU B 949 76.768 4.998 -14.708 1.00 0.00 C ATOM 1975 OE1 GLU B 949 76.460 3.856 -14.412 1.00 0.00 O ATOM 1976 OE2 GLU B 949 76.941 5.382 -15.853 1.00 0.00 O ATOM 0 H GLU B 949 77.165 3.289 -13.063 1.00 0.00 H new ATOM 0 HA GLU B 949 78.122 5.291 -11.177 1.00 0.00 H new ATOM 0 HB2 GLU B 949 75.415 4.882 -12.553 1.00 0.00 H new ATOM 0 HB3 GLU B 949 75.918 6.330 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU B 949 76.510 6.968 -13.865 1.00 0.00 H new ATOM 0 HG3 GLU B 949 78.008 6.186 -13.401 1.00 0.00 H new ATOM 1983 N TYR B 950 76.931 4.687 -9.094 1.00 0.00 N ATOM 1984 CA TYR B 950 76.317 4.272 -7.840 1.00 0.00 C ATOM 1985 C TYR B 950 75.174 5.200 -7.485 1.00 0.00 C ATOM 1986 O TYR B 950 75.378 6.371 -7.166 1.00 0.00 O ATOM 1987 CB TYR B 950 77.356 4.272 -6.722 1.00 0.00 C ATOM 1988 CG TYR B 950 76.661 4.312 -5.391 1.00 0.00 C ATOM 1989 CD1 TYR B 950 75.970 3.187 -4.933 1.00 0.00 C ATOM 1990 CD2 TYR B 950 76.719 5.469 -4.609 1.00 0.00 C ATOM 1991 CE1 TYR B 950 75.333 3.219 -3.692 1.00 0.00 C ATOM 1992 CE2 TYR B 950 76.082 5.503 -3.369 1.00 0.00 C ATOM 1993 CZ TYR B 950 75.387 4.376 -2.908 1.00 0.00 C ATOM 1994 OH TYR B 950 74.755 4.409 -1.681 1.00 0.00 O ATOM 0 H TYR B 950 77.625 5.429 -9.001 1.00 0.00 H new ATOM 0 HA TYR B 950 75.926 3.262 -7.959 1.00 0.00 H new ATOM 0 HB2 TYR B 950 77.980 3.381 -6.791 1.00 0.00 H new ATOM 0 HB3 TYR B 950 78.017 5.133 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR B 950 75.929 2.294 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR B 950 77.256 6.336 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR B 950 74.798 2.350 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR B 950 76.124 6.397 -2.764 1.00 0.00 H new ATOM 0 HH TYR B 950 74.742 3.508 -1.295 1.00 0.00 H new ATOM 2004 N ILE B 951 73.967 4.658 -7.547 1.00 0.00 N ATOM 2005 CA ILE B 951 72.780 5.424 -7.235 1.00 0.00 C ATOM 2006 C ILE B 951 71.907 4.660 -6.255 1.00 0.00 C ATOM 2007 O ILE B 951 71.463 3.545 -6.538 1.00 0.00 O ATOM 2008 CB ILE B 951 72.001 5.707 -8.519 1.00 0.00 C ATOM 2009 CG1 ILE B 951 70.791 6.576 -8.184 1.00 0.00 C ATOM 2010 CG2 ILE B 951 71.535 4.397 -9.151 1.00 0.00 C ATOM 2011 CD1 ILE B 951 70.125 7.062 -9.473 1.00 0.00 C ATOM 0 H ILE B 951 73.788 3.689 -7.811 1.00 0.00 H new ATOM 0 HA ILE B 951 73.074 6.368 -6.777 1.00 0.00 H new ATOM 0 HB ILE B 951 72.646 6.227 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE B 951 70.078 6.007 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE B 951 71.101 7.429 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE B 951 70.981 4.611 -10.065 1.00 0.00 H new ATOM 0 HG22 ILE B 951 72.401 3.779 -9.388 1.00 0.00 H new ATOM 0 HG23 ILE B 951 70.890 3.865 -8.452 1.00 0.00 H new ATOM 0 HD11 ILE B 951 69.263 7.681 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE B 951 70.838 7.648 -10.053 1.00 0.00 H new ATOM 0 HD13 ILE B 951 69.799 6.203 -10.060 1.00 0.00 H new ATOM 2023 N ASP B 952 71.672 5.257 -5.097 1.00 0.00 N ATOM 2024 CA ASP B 952 70.862 4.613 -4.075 1.00 0.00 C ATOM 2025 C ASP B 952 69.469 4.327 -4.612 1.00 0.00 C ATOM 2026 O ASP B 952 68.524 5.079 -4.365 1.00 0.00 O ATOM 2027 CB ASP B 952 70.753 5.525 -2.852 1.00 0.00 C ATOM 2028 CG ASP B 952 70.040 4.803 -1.713 1.00 0.00 C ATOM 2029 OD1 ASP B 952 70.596 3.844 -1.204 1.00 0.00 O ATOM 2030 OD2 ASP B 952 68.948 5.221 -1.365 1.00 0.00 O ATOM 0 H ASP B 952 72.027 6.179 -4.843 1.00 0.00 H new ATOM 0 HA ASP B 952 71.337 3.674 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP B 952 71.748 5.833 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP B 952 70.208 6.432 -3.114 1.00 0.00 H new ATOM 2035 N ASP B 953 69.355 3.232 -5.353 1.00 0.00 N ATOM 2036 CA ASP B 953 68.072 2.836 -5.927 1.00 0.00 C ATOM 2037 C ASP B 953 68.228 1.583 -6.782 1.00 0.00 C ATOM 2038 O ASP B 953 68.969 1.637 -7.750 1.00 0.00 O ATOM 2039 CB ASP B 953 67.512 3.974 -6.784 1.00 0.00 C ATOM 2040 CG ASP B 953 66.542 3.416 -7.821 1.00 0.00 C ATOM 2041 OD1 ASP B 953 66.993 3.071 -8.901 1.00 0.00 O ATOM 2042 OD2 ASP B 953 65.361 3.347 -7.522 1.00 0.00 O ATOM 2043 OXT ASP B 953 67.604 0.586 -6.455 1.00 0.00 O ATOM 0 H ASP B 953 70.129 2.605 -5.571 1.00 0.00 H new ATOM 0 HA ASP B 953 67.382 2.620 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP B 953 67.003 4.700 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP B 953 68.326 4.501 -7.282 1.00 0.00 H new TER 2048 ASP B 953