USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 565 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 54 GLN : amide:sc= -0.226 X(o=-0.23,f=0.00048) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 THR OG1 : rot 95:sc= 0.391 USER MOD Set 2.2: A 15 ASN : amide:sc= -7.41! C(o=-6.8!,f=-25!) USER MOD Set 2.3: A 17 HIS : no HE2:sc= 0.253 K(o=-6.8,f=-19!) USER MOD Set 3.1: A 7 CYS SG : rot -15:sc= -0.3 USER MOD Set 3.2: A 12 CYS SG : rot 115:sc= -10.2! USER MOD Set 3.3: A 62 CYS SG : rot -172:sc= -3! USER MOD Set 3.4: A 65 HIS : no HD1:sc= -16.2! C(o=-30!,f=-29!) USER MOD Single : A 8 CYS SG : rot -34:sc= 0.649 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -7.29! C(o=-7.3!,f=-5.2!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.263 USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= -1.04 (180deg=-1.23) USER MOD Single : A 23 HIS : no HD1:sc=-0.000695 X(o=-0.0007,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00167 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.94! C(o=-2.9!,f=-14!) USER MOD Single : A 42 SER OG : rot 70:sc= -2.86! USER MOD Single : A 52 THR OG1 : rot 9:sc= 0.755 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -8.12! C(o=-8.1!,f=-2.6!) USER MOD Single : A 63 SER OG : rot -163:sc= 0.0757 USER MOD Single : A 67 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -0.515 (180deg=-4.01!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -65:sc= 0.302 USER MOD Single : A 79 THR OG1 : rot 180:sc= -2.86! USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 3.635 13.415 -0.786 1.00 0.00 N ATOM 36 CA GLY A 4 2.786 12.268 -1.057 1.00 0.00 C ATOM 37 C GLY A 4 3.565 11.113 -1.687 1.00 0.00 C ATOM 38 O GLY A 4 4.781 11.214 -1.849 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.326 11.931 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.977 12.566 -1.724 1.00 0.00 H new ATOM 42 N PHE A 5 2.890 10.002 -2.025 1.00 0.00 N ATOM 43 CA PHE A 5 3.589 8.851 -2.605 1.00 0.00 C ATOM 44 C PHE A 5 2.738 8.054 -3.614 1.00 0.00 C ATOM 45 O PHE A 5 3.249 7.619 -4.644 1.00 0.00 O ATOM 46 CB PHE A 5 4.073 7.925 -1.485 1.00 0.00 C ATOM 47 CG PHE A 5 4.361 8.633 -0.191 1.00 0.00 C ATOM 48 CD1 PHE A 5 5.539 9.343 -0.024 1.00 0.00 C ATOM 49 CD2 PHE A 5 3.456 8.588 0.858 1.00 0.00 C ATOM 50 CE1 PHE A 5 5.808 9.997 1.164 1.00 0.00 C ATOM 51 CE2 PHE A 5 3.719 9.238 2.048 1.00 0.00 C ATOM 52 CZ PHE A 5 4.897 9.944 2.201 1.00 0.00 C ATOM 0 H PHE A 5 1.884 9.880 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 5 4.434 9.250 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.318 7.159 -1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.976 7.412 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.255 9.386 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.534 8.038 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.729 10.549 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.005 9.195 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.105 10.454 3.130 1.00 0.00 H new ATOM 62 N THR A 6 1.450 7.861 -3.302 1.00 0.00 N ATOM 63 CA THR A 6 0.501 7.112 -4.159 1.00 0.00 C ATOM 64 C THR A 6 0.341 5.650 -3.703 1.00 0.00 C ATOM 65 O THR A 6 1.284 4.866 -3.784 1.00 0.00 O ATOM 66 CB THR A 6 0.929 7.144 -5.632 1.00 0.00 C ATOM 67 OG1 THR A 6 1.389 8.433 -5.999 1.00 0.00 O ATOM 68 CG2 THR A 6 -0.185 6.769 -6.586 1.00 0.00 C ATOM 0 H THR A 6 1.028 8.219 -2.445 1.00 0.00 H new ATOM 0 HA THR A 6 -0.462 7.612 -4.058 1.00 0.00 H new ATOM 0 HB THR A 6 1.725 6.404 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.364 8.470 -5.910 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.184 6.812 -7.611 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.528 5.758 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.014 7.467 -6.470 1.00 0.00 H new ATOM 76 N CYS A 7 -0.867 5.286 -3.230 1.00 0.00 N ATOM 77 CA CYS A 7 -1.140 3.913 -2.780 1.00 0.00 C ATOM 78 C CYS A 7 -1.502 3.051 -3.975 1.00 0.00 C ATOM 79 O CYS A 7 -2.088 1.983 -3.816 1.00 0.00 O ATOM 80 CB CYS A 7 -2.310 3.825 -1.743 1.00 0.00 C ATOM 81 SG CYS A 7 -2.995 2.143 -1.622 1.00 0.00 S ATOM 0 H CYS A 7 -1.662 5.920 -3.151 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.232 3.562 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.950 4.140 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.101 4.518 -2.030 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.593 1.437 -2.636 1.00 0.00 H new ATOM 86 N CYS A 8 -1.223 3.516 -5.192 1.00 0.00 N ATOM 87 CA CYS A 8 -1.636 2.740 -6.345 1.00 0.00 C ATOM 88 C CYS A 8 -3.143 2.575 -6.208 1.00 0.00 C ATOM 89 O CYS A 8 -3.745 1.629 -6.700 1.00 0.00 O ATOM 90 CB CYS A 8 -0.931 1.380 -6.334 1.00 0.00 C ATOM 91 SG CYS A 8 -1.602 0.146 -7.476 1.00 0.00 S ATOM 0 H CYS A 8 -0.734 4.388 -5.395 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.378 3.226 -7.286 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.122 1.534 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.975 0.976 -5.323 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.888 0.304 -7.578 1.00 0.00 H new ATOM 97 N VAL A 9 -3.713 3.519 -5.459 1.00 0.00 N ATOM 98 CA VAL A 9 -5.119 3.536 -5.134 1.00 0.00 C ATOM 99 C VAL A 9 -5.954 3.965 -6.327 1.00 0.00 C ATOM 100 O VAL A 9 -6.093 5.154 -6.612 1.00 0.00 O ATOM 101 CB VAL A 9 -5.339 4.497 -3.927 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.547 5.769 -4.121 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.802 4.838 -3.671 1.00 0.00 C ATOM 0 H VAL A 9 -3.193 4.301 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.440 2.529 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.986 3.959 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.709 6.432 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.486 5.529 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.873 6.265 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.875 5.510 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.222 5.324 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.357 3.924 -3.462 1.00 0.00 H new ATOM 113 N PRO A 10 -6.561 2.983 -7.018 1.00 0.00 N ATOM 114 CA PRO A 10 -7.434 3.250 -8.161 1.00 0.00 C ATOM 115 C PRO A 10 -8.735 3.866 -7.680 1.00 0.00 C ATOM 116 O PRO A 10 -9.559 4.333 -8.466 1.00 0.00 O ATOM 117 CB PRO A 10 -7.685 1.858 -8.745 1.00 0.00 C ATOM 118 CG PRO A 10 -7.548 0.940 -7.577 1.00 0.00 C ATOM 119 CD PRO A 10 -6.472 1.539 -6.715 1.00 0.00 C ATOM 0 HA PRO A 10 -7.005 3.943 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.676 1.787 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.964 1.618 -9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.488 0.858 -7.031 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.278 -0.066 -7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.645 1.338 -5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.489 1.136 -6.960 1.00 0.00 H new ATOM 127 N GLY A 11 -8.896 3.844 -6.365 1.00 0.00 N ATOM 128 CA GLY A 11 -10.070 4.375 -5.732 1.00 0.00 C ATOM 129 C GLY A 11 -10.396 3.629 -4.457 1.00 0.00 C ATOM 130 O GLY A 11 -11.535 3.683 -3.990 1.00 0.00 O ATOM 0 H GLY A 11 -8.211 3.456 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.918 5.431 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.915 4.312 -6.418 1.00 0.00 H new ATOM 134 N CYS A 12 -9.408 2.912 -3.885 1.00 0.00 N ATOM 135 CA CYS A 12 -9.657 2.160 -2.661 1.00 0.00 C ATOM 136 C CYS A 12 -10.371 3.042 -1.635 1.00 0.00 C ATOM 137 O CYS A 12 -11.599 3.145 -1.647 1.00 0.00 O ATOM 138 CB CYS A 12 -8.383 1.503 -2.032 1.00 0.00 C ATOM 139 SG CYS A 12 -6.743 2.026 -2.642 1.00 0.00 S ATOM 0 H CYS A 12 -8.457 2.844 -4.247 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.298 1.327 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.411 1.686 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.461 0.425 -2.174 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.095 2.624 -1.687 1.00 0.00 H new ATOM 144 N TYR A 13 -9.618 3.655 -0.737 1.00 0.00 N ATOM 145 CA TYR A 13 -10.202 4.492 0.298 1.00 0.00 C ATOM 146 C TYR A 13 -9.501 5.843 0.349 1.00 0.00 C ATOM 147 O TYR A 13 -10.104 6.903 0.190 1.00 0.00 O ATOM 148 CB TYR A 13 -10.070 3.786 1.653 1.00 0.00 C ATOM 149 CG TYR A 13 -11.357 3.749 2.455 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.591 3.596 1.832 1.00 0.00 C ATOM 151 CD2 TYR A 13 -11.335 3.865 3.841 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.763 3.563 2.565 1.00 0.00 C ATOM 153 CE2 TYR A 13 -12.504 3.832 4.578 1.00 0.00 C ATOM 154 CZ TYR A 13 -13.714 3.681 3.937 1.00 0.00 C ATOM 155 OH TYR A 13 -14.879 3.650 4.669 1.00 0.00 O ATOM 0 H TYR A 13 -8.601 3.589 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.255 4.658 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.727 2.765 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.302 4.289 2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.635 3.501 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.389 3.983 4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.713 3.445 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.469 3.924 5.653 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.669 3.745 5.622 1.00 0.00 H new ATOM 165 N ASN A 14 -8.224 5.747 0.620 1.00 0.00 N ATOM 166 CA ASN A 14 -7.317 6.870 0.776 1.00 0.00 C ATOM 167 C ASN A 14 -6.131 6.726 -0.199 1.00 0.00 C ATOM 168 O ASN A 14 -5.855 5.618 -0.640 1.00 0.00 O ATOM 169 CB ASN A 14 -6.828 6.929 2.210 1.00 0.00 C ATOM 170 CG ASN A 14 -7.593 5.992 3.132 1.00 0.00 C ATOM 171 OD1 ASN A 14 -7.002 5.162 3.822 1.00 0.00 O ATOM 172 ND2 ASN A 14 -8.917 6.124 3.144 1.00 0.00 N ATOM 0 H ASN A 14 -7.762 4.846 0.745 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.840 7.798 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.768 6.675 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.921 7.950 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.484 5.523 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.365 6.826 2.555 1.00 0.00 H new ATOM 179 N ASN A 15 -5.437 7.807 -0.590 1.00 0.00 N ATOM 180 CA ASN A 15 -4.332 7.639 -1.535 1.00 0.00 C ATOM 181 C ASN A 15 -2.987 7.852 -0.796 1.00 0.00 C ATOM 182 O ASN A 15 -2.990 8.409 0.301 1.00 0.00 O ATOM 183 CB ASN A 15 -4.482 8.645 -2.683 1.00 0.00 C ATOM 184 CG ASN A 15 -3.386 8.538 -3.726 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.205 8.676 -3.421 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.778 8.306 -4.974 1.00 0.00 N ATOM 0 H ASN A 15 -5.612 8.763 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.349 6.631 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.448 8.493 -3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.485 9.655 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.087 8.236 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.770 8.197 -5.185 1.00 0.00 H new ATOM 193 N SER A 16 -1.835 7.395 -1.352 1.00 0.00 N ATOM 194 CA SER A 16 -0.576 7.551 -0.666 1.00 0.00 C ATOM 195 C SER A 16 0.068 8.911 -1.008 1.00 0.00 C ATOM 196 O SER A 16 1.204 9.162 -0.616 1.00 0.00 O ATOM 197 CB SER A 16 0.374 6.342 -0.988 1.00 0.00 C ATOM 198 OG SER A 16 1.410 6.240 -0.024 1.00 0.00 O ATOM 0 H SER A 16 -1.776 6.928 -2.257 1.00 0.00 H new ATOM 0 HA SER A 16 -0.754 7.547 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.202 5.417 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.807 6.469 -1.980 1.00 0.00 H new ATOM 0 HG SER A 16 1.988 5.480 -0.244 1.00 0.00 H new ATOM 204 N HIS A 17 -0.663 9.796 -1.732 1.00 0.00 N ATOM 205 CA HIS A 17 -0.139 11.116 -2.107 1.00 0.00 C ATOM 206 C HIS A 17 -1.255 12.147 -2.321 1.00 0.00 C ATOM 207 O HIS A 17 -1.046 13.141 -3.018 1.00 0.00 O ATOM 208 CB HIS A 17 0.698 11.024 -3.403 1.00 0.00 C ATOM 209 CG HIS A 17 -0.101 11.196 -4.663 1.00 0.00 C ATOM 210 ND1 HIS A 17 -1.043 10.283 -5.086 1.00 0.00 N ATOM 211 CD2 HIS A 17 -0.097 12.185 -5.587 1.00 0.00 C ATOM 212 CE1 HIS A 17 -1.583 10.702 -6.216 1.00 0.00 C ATOM 213 NE2 HIS A 17 -1.026 11.854 -6.542 1.00 0.00 N ATOM 0 H HIS A 17 -1.611 9.613 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 17 0.485 11.445 -1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.478 11.785 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.198 10.056 -3.432 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.285 9.419 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.522 13.070 -5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.350 10.190 -6.778 1.00 0.00 H new ATOM 222 N ARG A 18 -2.441 11.920 -1.757 1.00 0.00 N ATOM 223 CA ARG A 18 -3.547 12.860 -1.955 1.00 0.00 C ATOM 224 C ARG A 18 -4.236 13.263 -0.649 1.00 0.00 C ATOM 225 O ARG A 18 -5.285 13.903 -0.682 1.00 0.00 O ATOM 226 CB ARG A 18 -4.571 12.267 -2.936 1.00 0.00 C ATOM 227 CG ARG A 18 -5.820 11.691 -2.276 1.00 0.00 C ATOM 228 CD ARG A 18 -6.557 10.741 -3.206 1.00 0.00 C ATOM 229 NE ARG A 18 -7.826 11.300 -3.671 1.00 0.00 N ATOM 230 CZ ARG A 18 -8.964 11.236 -2.981 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.999 10.644 -1.794 1.00 0.00 N ATOM 232 NH2 ARG A 18 -10.071 11.769 -3.481 1.00 0.00 N ATOM 0 H ARG A 18 -2.660 11.113 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.117 13.770 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.872 13.043 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.087 11.481 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.540 11.164 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.485 12.503 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.926 10.513 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.744 9.800 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.841 11.767 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.151 10.234 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.874 10.599 -1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.050 12.227 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.943 11.721 -2.954 1.00 0.00 H new ATOM 246 N ASP A 19 -3.651 12.904 0.489 1.00 0.00 N ATOM 247 CA ASP A 19 -4.237 13.249 1.791 1.00 0.00 C ATOM 248 C ASP A 19 -3.323 12.921 2.957 1.00 0.00 C ATOM 249 O ASP A 19 -2.869 13.813 3.675 1.00 0.00 O ATOM 250 CB ASP A 19 -5.566 12.541 2.002 1.00 0.00 C ATOM 251 CG ASP A 19 -6.722 13.214 1.288 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.759 14.463 1.267 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.590 12.493 0.752 1.00 0.00 O ATOM 0 H ASP A 19 -2.778 12.378 0.543 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.387 14.328 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.481 11.512 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.782 12.499 3.070 1.00 0.00 H new ATOM 258 N LYS A 20 -3.078 11.639 3.157 1.00 0.00 N ATOM 259 CA LYS A 20 -2.241 11.178 4.257 1.00 0.00 C ATOM 260 C LYS A 20 -2.938 11.404 5.621 1.00 0.00 C ATOM 261 O LYS A 20 -2.315 11.279 6.673 1.00 0.00 O ATOM 262 CB LYS A 20 -0.861 11.879 4.171 1.00 0.00 C ATOM 263 CG LYS A 20 -0.270 12.355 5.494 1.00 0.00 C ATOM 264 CD LYS A 20 0.278 11.196 6.315 1.00 0.00 C ATOM 265 CE LYS A 20 1.793 11.257 6.429 1.00 0.00 C ATOM 266 NZ LYS A 20 2.371 9.948 6.842 1.00 0.00 N ATOM 0 H LYS A 20 -3.448 10.892 2.570 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.083 10.103 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.154 11.191 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.953 12.738 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.527 13.072 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.036 12.877 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.163 11.215 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.015 10.253 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.218 11.555 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.072 12.022 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.120 10.106 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.625 9.355 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.773 9.468 6.011 1.00 0.00 H new ATOM 280 N ALA A 21 -4.244 11.722 5.606 1.00 0.00 N ATOM 281 CA ALA A 21 -4.985 11.945 6.854 1.00 0.00 C ATOM 282 C ALA A 21 -5.972 10.811 7.229 1.00 0.00 C ATOM 283 O ALA A 21 -6.744 10.973 8.176 1.00 0.00 O ATOM 284 CB ALA A 21 -5.732 13.266 6.770 1.00 0.00 C ATOM 0 H ALA A 21 -4.799 11.829 4.757 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.238 11.962 7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.282 13.432 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.020 14.078 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.430 13.237 5.933 1.00 0.00 H new ATOM 290 N LEU A 22 -5.966 9.672 6.516 1.00 0.00 N ATOM 291 CA LEU A 22 -6.885 8.567 6.838 1.00 0.00 C ATOM 292 C LEU A 22 -6.061 7.403 7.517 1.00 0.00 C ATOM 293 O LEU A 22 -5.167 7.729 8.300 1.00 0.00 O ATOM 294 CB LEU A 22 -7.733 8.195 5.573 1.00 0.00 C ATOM 295 CG LEU A 22 -8.396 9.371 4.842 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.564 9.908 5.654 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.425 10.477 4.539 1.00 0.00 C ATOM 0 H LEU A 22 -5.346 9.493 5.726 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.636 8.845 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.088 7.671 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.511 7.494 5.874 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.761 8.990 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.024 10.741 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.301 9.118 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.205 10.250 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.943 11.285 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.002 10.855 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.625 10.095 3.905 1.00 0.00 H new ATOM 309 N HIS A 23 -6.314 6.078 7.301 1.00 0.00 N ATOM 310 CA HIS A 23 -5.539 5.047 7.988 1.00 0.00 C ATOM 311 C HIS A 23 -4.456 4.455 7.063 1.00 0.00 C ATOM 312 O HIS A 23 -4.724 4.248 5.880 1.00 0.00 O ATOM 313 CB HIS A 23 -6.485 3.926 8.430 1.00 0.00 C ATOM 314 CG HIS A 23 -6.402 3.605 9.892 1.00 0.00 C ATOM 315 ND1 HIS A 23 -7.507 3.539 10.713 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.335 3.326 10.678 1.00 0.00 C ATOM 317 CE1 HIS A 23 -7.125 3.235 11.941 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.812 3.100 11.946 1.00 0.00 N ATOM 0 H HIS A 23 -7.033 5.724 6.670 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.048 5.499 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.509 4.211 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.260 3.027 7.857 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.302 3.288 10.366 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.776 3.117 12.795 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.244 2.866 12.760 1.00 0.00 H new ATOM 327 N PHE A 24 -3.242 4.157 7.574 1.00 0.00 N ATOM 328 CA PHE A 24 -2.209 3.578 6.727 1.00 0.00 C ATOM 329 C PHE A 24 -1.577 2.308 7.366 1.00 0.00 C ATOM 330 O PHE A 24 -1.153 2.364 8.522 1.00 0.00 O ATOM 331 CB PHE A 24 -1.116 4.610 6.439 1.00 0.00 C ATOM 332 CG PHE A 24 -1.580 5.776 5.596 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.253 6.840 6.176 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.332 5.817 4.226 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.671 7.914 5.409 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.746 6.887 3.461 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.415 7.935 4.051 1.00 0.00 C ATOM 0 H PHE A 24 -2.969 4.308 8.545 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.686 3.281 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.730 4.989 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.287 4.115 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.453 6.831 7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.808 4.998 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.197 8.736 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.545 6.903 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.740 8.774 3.453 1.00 0.00 H new ATOM 347 N TYR A 25 -1.458 1.177 6.625 1.00 0.00 N ATOM 348 CA TYR A 25 -0.821 -0.026 7.167 1.00 0.00 C ATOM 349 C TYR A 25 0.694 0.108 6.965 1.00 0.00 C ATOM 350 O TYR A 25 1.118 0.849 6.081 1.00 0.00 O ATOM 351 CB TYR A 25 -1.297 -1.308 6.459 1.00 0.00 C ATOM 352 CG TYR A 25 -2.656 -1.815 6.889 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.786 -1.012 6.804 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.806 -3.117 7.353 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.030 -1.491 7.177 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.041 -3.608 7.724 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.152 -2.790 7.637 1.00 0.00 C ATOM 358 OH TYR A 25 -6.387 -3.273 8.005 1.00 0.00 O ATOM 0 H TYR A 25 -1.793 1.084 5.666 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.088 -0.109 8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.319 -1.124 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.562 -2.094 6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.693 0.001 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.939 -3.757 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.900 -0.855 7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.139 -4.623 8.079 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.299 -4.202 8.304 1.00 0.00 H new ATOM 368 N THR A 26 1.524 -0.577 7.761 1.00 0.00 N ATOM 369 CA THR A 26 2.969 -0.453 7.600 1.00 0.00 C ATOM 370 C THR A 26 3.535 -1.698 6.904 1.00 0.00 C ATOM 371 O THR A 26 2.798 -2.648 6.635 1.00 0.00 O ATOM 372 CB THR A 26 3.635 -0.224 8.964 1.00 0.00 C ATOM 373 OG1 THR A 26 2.664 -0.210 9.996 1.00 0.00 O ATOM 374 CG2 THR A 26 4.401 1.080 9.048 1.00 0.00 C ATOM 0 H THR A 26 1.225 -1.208 8.505 1.00 0.00 H new ATOM 0 HA THR A 26 3.186 0.410 6.970 1.00 0.00 H new ATOM 0 HB THR A 26 4.337 -1.049 9.084 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.106 -0.065 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.846 1.178 10.038 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.188 1.089 8.294 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.721 1.913 8.872 1.00 0.00 H new ATOM 382 N PHE A 27 4.817 -1.656 6.529 1.00 0.00 N ATOM 383 CA PHE A 27 5.426 -2.739 5.771 1.00 0.00 C ATOM 384 C PHE A 27 6.029 -3.891 6.607 1.00 0.00 C ATOM 385 O PHE A 27 6.783 -3.636 7.546 1.00 0.00 O ATOM 386 CB PHE A 27 6.537 -2.143 4.929 1.00 0.00 C ATOM 387 CG PHE A 27 6.294 -2.131 3.447 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.019 -2.249 2.919 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.362 -2.000 2.582 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.822 -2.237 1.554 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.172 -1.990 1.222 1.00 0.00 C ATOM 392 CZ PHE A 27 5.894 -2.109 0.703 1.00 0.00 C ATOM 0 H PHE A 27 5.447 -0.883 6.740 1.00 0.00 H new ATOM 0 HA PHE A 27 4.619 -3.188 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.709 -1.118 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.454 -2.699 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.172 -2.351 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.361 -1.904 2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.823 -2.328 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.018 -1.889 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.740 -2.101 -0.366 1.00 0.00 H new ATOM 402 N PRO A 28 5.720 -5.185 6.278 1.00 0.00 N ATOM 403 CA PRO A 28 6.264 -6.350 7.010 1.00 0.00 C ATOM 404 C PRO A 28 7.765 -6.187 7.322 1.00 0.00 C ATOM 405 O PRO A 28 8.398 -5.246 6.842 1.00 0.00 O ATOM 406 CB PRO A 28 6.066 -7.472 5.970 1.00 0.00 C ATOM 407 CG PRO A 28 4.774 -7.122 5.346 1.00 0.00 C ATOM 408 CD PRO A 28 4.770 -5.627 5.220 1.00 0.00 C ATOM 0 HA PRO A 28 5.787 -6.516 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.875 -7.492 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.035 -8.456 6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.670 -7.597 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.939 -7.465 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.095 -5.307 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.774 -5.214 5.377 1.00 0.00 H new ATOM 416 N LYS A 29 8.339 -7.092 8.130 1.00 0.00 N ATOM 417 CA LYS A 29 9.756 -7.000 8.490 1.00 0.00 C ATOM 418 C LYS A 29 10.637 -7.720 7.473 1.00 0.00 C ATOM 419 O LYS A 29 11.840 -7.472 7.391 1.00 0.00 O ATOM 420 CB LYS A 29 10.013 -7.574 9.893 1.00 0.00 C ATOM 421 CG LYS A 29 8.750 -7.900 10.678 1.00 0.00 C ATOM 422 CD LYS A 29 9.068 -8.260 12.121 1.00 0.00 C ATOM 423 CE LYS A 29 7.954 -9.086 12.745 1.00 0.00 C ATOM 424 NZ LYS A 29 8.326 -9.589 14.096 1.00 0.00 N ATOM 0 H LYS A 29 7.848 -7.886 8.541 1.00 0.00 H new ATOM 0 HA LYS A 29 10.016 -5.941 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.612 -8.480 9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.606 -6.858 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.075 -7.044 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.228 -8.730 10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.003 -8.819 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.216 -7.349 12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.051 -8.480 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.720 -9.929 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.540 -10.147 14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.173 -10.188 14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.525 -8.784 14.724 1.00 0.00 H new ATOM 438 N ASP A 30 10.026 -8.600 6.693 1.00 0.00 N ATOM 439 CA ASP A 30 10.754 -9.349 5.673 1.00 0.00 C ATOM 440 C ASP A 30 10.886 -8.490 4.413 1.00 0.00 C ATOM 441 O ASP A 30 9.882 -8.144 3.791 1.00 0.00 O ATOM 442 CB ASP A 30 10.014 -10.661 5.341 1.00 0.00 C ATOM 443 CG ASP A 30 8.767 -10.885 6.181 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.876 -10.850 7.425 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.685 -11.089 5.594 1.00 0.00 O ATOM 0 H ASP A 30 9.030 -8.814 6.745 1.00 0.00 H new ATOM 0 HA ASP A 30 11.746 -9.598 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.736 -10.655 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.695 -11.499 5.486 1.00 0.00 H new ATOM 450 N ALA A 31 12.120 -8.116 4.051 1.00 0.00 N ATOM 451 CA ALA A 31 12.345 -7.273 2.887 1.00 0.00 C ATOM 452 C ALA A 31 11.495 -7.703 1.652 1.00 0.00 C ATOM 453 O ALA A 31 10.606 -6.971 1.238 1.00 0.00 O ATOM 454 CB ALA A 31 13.847 -7.185 2.588 1.00 0.00 C ATOM 0 H ALA A 31 12.968 -8.386 4.549 1.00 0.00 H new ATOM 0 HA ALA A 31 11.993 -6.268 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.008 -6.552 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.364 -6.757 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.238 -8.183 2.389 1.00 0.00 H new ATOM 460 N GLU A 32 11.735 -8.878 1.059 1.00 0.00 N ATOM 461 CA GLU A 32 10.957 -9.299 -0.125 1.00 0.00 C ATOM 462 C GLU A 32 9.469 -9.160 0.049 1.00 0.00 C ATOM 463 O GLU A 32 8.875 -8.363 -0.677 1.00 0.00 O ATOM 464 CB GLU A 32 11.349 -10.717 -0.565 1.00 0.00 C ATOM 465 CG GLU A 32 10.420 -11.343 -1.597 1.00 0.00 C ATOM 466 CD GLU A 32 9.158 -11.918 -0.982 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.215 -12.358 0.186 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.114 -11.927 -1.667 1.00 0.00 O ATOM 0 H GLU A 32 12.443 -9.545 1.366 1.00 0.00 H new ATOM 0 HA GLU A 32 11.220 -8.606 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.359 -10.690 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.379 -11.360 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.147 -10.591 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.953 -12.133 -2.127 1.00 0.00 H new ATOM 475 N LEU A 33 8.824 -9.883 0.963 1.00 0.00 N ATOM 476 CA LEU A 33 7.399 -9.704 1.085 1.00 0.00 C ATOM 477 C LEU A 33 7.060 -8.225 0.869 1.00 0.00 C ATOM 478 O LEU A 33 6.101 -7.864 0.186 1.00 0.00 O ATOM 479 CB LEU A 33 6.915 -10.166 2.473 1.00 0.00 C ATOM 480 CG LEU A 33 5.424 -10.481 2.587 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.763 -10.552 1.220 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.210 -11.780 3.325 1.00 0.00 C ATOM 0 H LEU A 33 9.248 -10.562 1.595 1.00 0.00 H new ATOM 0 HA LEU A 33 6.893 -10.308 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.478 -11.056 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.160 -9.391 3.199 1.00 0.00 H new ATOM 0 HG LEU A 33 4.962 -9.669 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.703 -10.778 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.875 -9.594 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.236 -11.335 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.142 -11.987 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.701 -12.590 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.632 -11.703 4.327 1.00 0.00 H new ATOM 494 N ARG A 34 7.932 -7.387 1.402 1.00 0.00 N ATOM 495 CA ARG A 34 7.802 -5.932 1.294 1.00 0.00 C ATOM 496 C ARG A 34 7.758 -5.499 -0.137 1.00 0.00 C ATOM 497 O ARG A 34 6.771 -4.903 -0.582 1.00 0.00 O ATOM 498 CB ARG A 34 8.913 -5.189 2.095 1.00 0.00 C ATOM 499 CG ARG A 34 10.113 -4.664 1.291 1.00 0.00 C ATOM 500 CD ARG A 34 10.090 -3.154 1.157 1.00 0.00 C ATOM 501 NE ARG A 34 11.436 -2.579 1.132 1.00 0.00 N ATOM 502 CZ ARG A 34 12.104 -2.286 0.019 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.571 -2.529 -1.172 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.314 -1.748 0.101 1.00 0.00 N ATOM 0 H ARG A 34 8.754 -7.690 1.924 1.00 0.00 H new ATOM 0 HA ARG A 34 6.851 -5.653 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.454 -4.345 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.288 -5.865 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.038 -4.971 1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.111 -5.116 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.563 -2.880 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.530 -2.726 1.988 1.00 0.00 H new ATOM 0 HE ARG A 34 11.891 -2.391 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.642 -2.944 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.091 -2.301 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.728 -1.561 1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.830 -1.522 -0.749 1.00 0.00 H new ATOM 518 N ARG A 35 8.795 -5.830 -0.874 1.00 0.00 N ATOM 519 CA ARG A 35 8.829 -5.463 -2.256 1.00 0.00 C ATOM 520 C ARG A 35 7.573 -5.953 -2.917 1.00 0.00 C ATOM 521 O ARG A 35 6.992 -5.254 -3.744 1.00 0.00 O ATOM 522 CB ARG A 35 10.092 -5.966 -2.980 1.00 0.00 C ATOM 523 CG ARG A 35 10.327 -7.464 -2.916 1.00 0.00 C ATOM 524 CD ARG A 35 9.381 -8.235 -3.826 1.00 0.00 C ATOM 525 NE ARG A 35 9.211 -7.580 -5.121 1.00 0.00 N ATOM 526 CZ ARG A 35 10.114 -7.625 -6.098 1.00 0.00 C ATOM 527 NH1 ARG A 35 11.246 -8.295 -5.936 1.00 0.00 N ATOM 528 NH2 ARG A 35 9.881 -6.997 -7.243 1.00 0.00 N ATOM 0 H ARG A 35 9.610 -6.344 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 35 8.877 -4.376 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.032 -5.669 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.959 -5.461 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.357 -7.681 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.200 -7.806 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.766 -9.244 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.411 -8.334 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 35 8.350 -7.058 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.430 -8.781 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.933 -8.325 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.011 -6.481 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.572 -7.030 -7.993 1.00 0.00 H new ATOM 542 N LEU A 36 7.081 -7.120 -2.500 1.00 0.00 N ATOM 543 CA LEU A 36 5.835 -7.598 -3.110 1.00 0.00 C ATOM 544 C LEU A 36 4.753 -6.565 -2.933 1.00 0.00 C ATOM 545 O LEU A 36 4.115 -6.151 -3.908 1.00 0.00 O ATOM 546 CB LEU A 36 5.394 -8.957 -2.559 1.00 0.00 C ATOM 547 CG LEU A 36 6.081 -10.165 -3.196 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.571 -11.456 -2.576 1.00 0.00 C ATOM 549 CD2 LEU A 36 5.858 -10.173 -4.701 1.00 0.00 C ATOM 0 H LEU A 36 7.493 -7.722 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 36 6.022 -7.746 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.582 -8.975 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.317 -9.056 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 36 7.152 -10.091 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.071 -12.305 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.780 -11.453 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.496 -11.536 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.354 -11.040 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.789 -10.223 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.271 -9.262 -5.135 1.00 0.00 H new ATOM 561 N TRP A 37 4.580 -6.086 -1.718 1.00 0.00 N ATOM 562 CA TRP A 37 3.586 -5.078 -1.496 1.00 0.00 C ATOM 563 C TRP A 37 3.893 -3.871 -2.357 1.00 0.00 C ATOM 564 O TRP A 37 2.967 -3.306 -2.963 1.00 0.00 O ATOM 565 CB TRP A 37 3.518 -4.693 -0.029 1.00 0.00 C ATOM 566 CG TRP A 37 2.786 -5.710 0.789 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.763 -7.054 0.565 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.965 -5.477 1.939 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.021 -7.682 1.544 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.511 -6.731 2.390 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.579 -4.336 2.643 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.692 -6.863 3.513 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.774 -4.474 3.742 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.340 -5.716 4.172 1.00 0.00 C ATOM 0 H TRP A 37 5.105 -6.375 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 37 2.610 -5.476 -1.774 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.529 -4.575 0.361 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.024 -3.726 0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.253 -7.554 -0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.876 -8.688 1.625 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.910 -3.358 2.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.350 -7.831 3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.470 -3.592 4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.290 -5.782 5.047 1.00 0.00 H new ATOM 585 N LEU A 38 5.203 -3.509 -2.477 1.00 0.00 N ATOM 586 CA LEU A 38 5.576 -2.383 -3.310 1.00 0.00 C ATOM 587 C LEU A 38 4.639 -2.378 -4.517 1.00 0.00 C ATOM 588 O LEU A 38 3.931 -1.397 -4.779 1.00 0.00 O ATOM 589 CB LEU A 38 7.046 -2.483 -3.770 1.00 0.00 C ATOM 590 CG LEU A 38 8.082 -2.109 -2.711 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.480 -2.102 -3.313 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.755 -0.754 -2.101 1.00 0.00 C ATOM 0 H LEU A 38 5.980 -3.980 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 38 5.486 -1.457 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.239 -3.504 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.184 -1.836 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 38 8.053 -2.858 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.205 -1.834 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.713 -3.093 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.524 -1.374 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.503 -0.504 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.757 0.007 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.771 -0.793 -1.635 1.00 0.00 H new ATOM 604 N LYS A 39 4.567 -3.531 -5.207 1.00 0.00 N ATOM 605 CA LYS A 39 3.720 -3.677 -6.353 1.00 0.00 C ATOM 606 C LYS A 39 2.287 -3.167 -6.128 1.00 0.00 C ATOM 607 O LYS A 39 1.842 -2.208 -6.779 1.00 0.00 O ATOM 608 CB LYS A 39 3.752 -5.170 -6.752 1.00 0.00 C ATOM 609 CG LYS A 39 4.759 -5.533 -7.838 1.00 0.00 C ATOM 610 CD LYS A 39 6.026 -4.684 -7.786 1.00 0.00 C ATOM 611 CE LYS A 39 6.285 -3.986 -9.111 1.00 0.00 C ATOM 612 NZ LYS A 39 7.738 -3.917 -9.425 1.00 0.00 N ATOM 0 H LYS A 39 5.099 -4.368 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 39 4.096 -3.051 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.972 -5.762 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.757 -5.460 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.029 -6.584 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.290 -5.415 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.935 -3.941 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.878 -5.315 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.766 -4.517 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.872 -2.978 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.874 -3.434 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.230 -3.389 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.127 -4.880 -9.482 1.00 0.00 H new ATOM 626 N ASN A 40 1.577 -3.803 -5.211 1.00 0.00 N ATOM 627 CA ASN A 40 0.182 -3.471 -4.933 1.00 0.00 C ATOM 628 C ASN A 40 -0.020 -2.032 -4.503 1.00 0.00 C ATOM 629 O ASN A 40 -1.085 -1.455 -4.727 1.00 0.00 O ATOM 630 CB ASN A 40 -0.424 -4.422 -3.868 1.00 0.00 C ATOM 631 CG ASN A 40 0.545 -5.485 -3.343 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.690 -5.575 -3.783 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.090 -6.306 -2.400 1.00 0.00 N ATOM 0 H ASN A 40 1.946 -4.562 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.341 -3.604 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.780 -3.826 -3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.293 -4.921 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.696 -7.034 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.865 -6.207 -2.055 1.00 0.00 H new ATOM 640 N VAL A 41 0.969 -1.468 -3.852 1.00 0.00 N ATOM 641 CA VAL A 41 0.848 -0.109 -3.359 1.00 0.00 C ATOM 642 C VAL A 41 1.109 0.998 -4.369 1.00 0.00 C ATOM 643 O VAL A 41 0.643 2.108 -4.147 1.00 0.00 O ATOM 644 CB VAL A 41 1.644 0.166 -2.078 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.973 0.812 -2.399 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.810 1.065 -1.171 1.00 0.00 C ATOM 0 H VAL A 41 1.861 -1.921 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.216 -0.068 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 41 1.854 -0.775 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.520 0.998 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.555 0.148 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.803 1.756 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.363 1.270 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.597 2.003 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.127 0.565 -0.925 1.00 0.00 H new ATOM 656 N SER A 42 1.861 0.757 -5.450 1.00 0.00 N ATOM 657 CA SER A 42 2.131 1.869 -6.398 1.00 0.00 C ATOM 658 C SER A 42 3.265 1.531 -7.413 1.00 0.00 C ATOM 659 O SER A 42 2.961 0.890 -8.421 1.00 0.00 O ATOM 660 CB SER A 42 2.342 3.228 -5.639 1.00 0.00 C ATOM 661 OG SER A 42 3.583 3.823 -5.971 1.00 0.00 O ATOM 0 H SER A 42 2.278 -0.142 -5.691 1.00 0.00 H new ATOM 0 HA SER A 42 1.241 2.000 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.531 3.913 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.297 3.056 -4.564 1.00 0.00 H new ATOM 0 HG SER A 42 3.555 4.143 -6.897 1.00 0.00 H new ATOM 667 N ARG A 43 4.555 1.933 -7.222 1.00 0.00 N ATOM 668 CA ARG A 43 5.565 1.595 -8.227 1.00 0.00 C ATOM 669 C ARG A 43 6.987 1.923 -7.750 1.00 0.00 C ATOM 670 O ARG A 43 7.664 2.739 -8.370 1.00 0.00 O ATOM 671 CB ARG A 43 5.276 2.346 -9.530 1.00 0.00 C ATOM 672 CG ARG A 43 5.619 1.550 -10.780 1.00 0.00 C ATOM 673 CD ARG A 43 4.453 0.686 -11.234 1.00 0.00 C ATOM 674 NE ARG A 43 4.790 -0.734 -11.234 1.00 0.00 N ATOM 675 CZ ARG A 43 3.910 -1.706 -11.467 1.00 0.00 C ATOM 676 NH1 ARG A 43 2.640 -1.415 -11.716 1.00 0.00 N ATOM 677 NH2 ARG A 43 4.301 -2.973 -11.451 1.00 0.00 N ATOM 0 H ARG A 43 4.893 2.464 -6.419 1.00 0.00 H new ATOM 0 HA ARG A 43 5.510 0.519 -8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.220 2.614 -9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.842 3.278 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.899 2.234 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.485 0.918 -10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.599 0.856 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.149 0.986 -12.237 1.00 0.00 H new ATOM 0 HE ARG A 43 5.757 -0.998 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.333 -0.442 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.971 -2.164 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.276 -3.203 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.627 -3.717 -11.629 1.00 0.00 H new ATOM 784 N THR A 52 8.370 10.824 -7.738 1.00 0.00 N ATOM 785 CA THR A 52 9.552 10.349 -7.026 1.00 0.00 C ATOM 786 C THR A 52 9.185 9.896 -5.611 1.00 0.00 C ATOM 787 O THR A 52 9.776 10.348 -4.631 1.00 0.00 O ATOM 788 CB THR A 52 10.616 11.447 -6.967 1.00 0.00 C ATOM 789 OG1 THR A 52 10.367 12.439 -7.949 1.00 0.00 O ATOM 790 CG2 THR A 52 12.021 10.931 -7.183 1.00 0.00 C ATOM 0 HA THR A 52 9.957 9.495 -7.569 1.00 0.00 H new ATOM 0 HB THR A 52 10.549 11.861 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.487 12.286 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.726 11.761 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.262 10.199 -6.412 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.089 10.461 -8.164 1.00 0.00 H new ATOM 798 N PHE A 53 8.200 9.004 -5.513 1.00 0.00 N ATOM 799 CA PHE A 53 7.747 8.494 -4.222 1.00 0.00 C ATOM 800 C PHE A 53 8.605 7.313 -3.747 1.00 0.00 C ATOM 801 O PHE A 53 8.083 6.341 -3.208 1.00 0.00 O ATOM 802 CB PHE A 53 6.279 8.057 -4.326 1.00 0.00 C ATOM 803 CG PHE A 53 6.048 7.014 -5.384 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.308 5.676 -5.127 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.583 7.371 -6.638 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.107 4.718 -6.096 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.377 6.414 -7.614 1.00 0.00 C ATOM 808 CZ PHE A 53 5.640 5.086 -7.340 1.00 0.00 C ATOM 0 H PHE A 53 7.700 8.620 -6.315 1.00 0.00 H new ATOM 0 HA PHE A 53 7.846 9.296 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.953 7.666 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.661 8.928 -4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.673 5.381 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.379 8.409 -6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.315 3.680 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.011 6.704 -8.588 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.480 4.336 -8.100 1.00 0.00 H new ATOM 818 N GLN A 54 9.921 7.398 -3.949 1.00 0.00 N ATOM 819 CA GLN A 54 10.845 6.330 -3.545 1.00 0.00 C ATOM 820 C GLN A 54 10.368 5.600 -2.282 1.00 0.00 C ATOM 821 O GLN A 54 9.986 6.237 -1.300 1.00 0.00 O ATOM 822 CB GLN A 54 12.244 6.907 -3.308 1.00 0.00 C ATOM 823 CG GLN A 54 13.250 6.526 -4.381 1.00 0.00 C ATOM 824 CD GLN A 54 14.613 7.150 -4.152 1.00 0.00 C ATOM 825 OE1 GLN A 54 15.202 7.735 -5.060 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.121 7.028 -2.930 1.00 0.00 N ATOM 0 H GLN A 54 10.375 8.197 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 54 10.876 5.604 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.175 7.994 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.610 6.564 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.352 5.441 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.872 6.836 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.598 6.534 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.034 7.428 -2.715 1.00 0.00 H new ATOM 835 N PRO A 55 10.385 4.250 -2.287 1.00 0.00 N ATOM 836 CA PRO A 55 9.956 3.453 -1.134 1.00 0.00 C ATOM 837 C PRO A 55 10.918 3.577 0.036 1.00 0.00 C ATOM 838 O PRO A 55 10.561 3.276 1.175 1.00 0.00 O ATOM 839 CB PRO A 55 9.924 2.008 -1.650 1.00 0.00 C ATOM 840 CG PRO A 55 10.141 2.091 -3.125 1.00 0.00 C ATOM 841 CD PRO A 55 10.828 3.400 -3.398 1.00 0.00 C ATOM 0 HA PRO A 55 8.990 3.790 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.700 1.407 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.969 1.534 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.750 1.257 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.192 2.036 -3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.912 3.290 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.536 3.814 -4.363 1.00 0.00 H new ATOM 849 N THR A 56 12.137 4.038 -0.240 1.00 0.00 N ATOM 850 CA THR A 56 13.135 4.218 0.806 1.00 0.00 C ATOM 851 C THR A 56 12.511 4.973 1.989 1.00 0.00 C ATOM 852 O THR A 56 12.687 4.574 3.141 1.00 0.00 O ATOM 853 CB THR A 56 14.335 4.999 0.265 1.00 0.00 C ATOM 854 OG1 THR A 56 14.859 4.373 -0.892 1.00 0.00 O ATOM 855 CG2 THR A 56 15.460 5.131 1.268 1.00 0.00 C ATOM 0 H THR A 56 12.454 4.292 -1.176 1.00 0.00 H new ATOM 0 HA THR A 56 13.477 3.239 1.142 1.00 0.00 H new ATOM 0 HB THR A 56 13.956 5.995 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.624 4.887 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.280 5.695 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.099 5.654 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.813 4.139 1.551 1.00 0.00 H new ATOM 863 N THR A 57 11.757 6.064 1.706 1.00 0.00 N ATOM 864 CA THR A 57 11.112 6.827 2.765 1.00 0.00 C ATOM 865 C THR A 57 10.234 5.922 3.625 1.00 0.00 C ATOM 866 O THR A 57 9.970 6.224 4.789 1.00 0.00 O ATOM 867 CB THR A 57 10.262 7.948 2.161 1.00 0.00 C ATOM 868 OG1 THR A 57 9.568 8.650 3.175 1.00 0.00 O ATOM 869 CG2 THR A 57 9.236 7.454 1.160 1.00 0.00 C ATOM 0 H THR A 57 11.591 6.419 0.764 1.00 0.00 H new ATOM 0 HA THR A 57 11.888 7.261 3.395 1.00 0.00 H new ATOM 0 HB THR A 57 10.968 8.596 1.641 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.031 9.363 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.669 8.300 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.743 6.949 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.557 6.756 1.650 1.00 0.00 H new ATOM 877 N GLY A 58 9.782 4.808 3.046 1.00 0.00 N ATOM 878 CA GLY A 58 8.938 3.885 3.782 1.00 0.00 C ATOM 879 C GLY A 58 7.499 3.847 3.242 1.00 0.00 C ATOM 880 O GLY A 58 6.669 4.620 3.725 1.00 0.00 O ATOM 0 H GLY A 58 9.986 4.532 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.368 2.885 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.921 4.172 4.833 1.00 0.00 H new ATOM 884 N HIS A 59 7.159 2.985 2.252 1.00 0.00 N ATOM 885 CA HIS A 59 5.790 2.970 1.749 1.00 0.00 C ATOM 886 C HIS A 59 4.882 2.179 2.680 1.00 0.00 C ATOM 887 O HIS A 59 5.225 1.099 3.163 1.00 0.00 O ATOM 888 CB HIS A 59 5.706 2.401 0.324 1.00 0.00 C ATOM 889 CG HIS A 59 5.410 3.438 -0.721 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.233 4.521 -0.929 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.387 3.566 -1.623 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.744 5.266 -1.898 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.629 4.711 -2.336 1.00 0.00 N ATOM 0 H HIS A 59 7.795 2.321 1.810 1.00 0.00 H new ATOM 0 HA HIS A 59 5.452 4.006 1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.649 1.911 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.932 1.635 0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.551 2.894 -1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.182 6.179 -2.272 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.041 5.076 -3.086 1.00 0.00 H new ATOM 902 N ARG A 60 3.728 2.764 2.923 1.00 0.00 N ATOM 903 CA ARG A 60 2.699 2.215 3.789 1.00 0.00 C ATOM 904 C ARG A 60 1.488 1.839 2.904 1.00 0.00 C ATOM 905 O ARG A 60 1.499 2.124 1.708 1.00 0.00 O ATOM 906 CB ARG A 60 2.351 3.252 4.860 1.00 0.00 C ATOM 907 CG ARG A 60 1.490 4.389 4.346 1.00 0.00 C ATOM 908 CD ARG A 60 1.729 5.663 5.141 1.00 0.00 C ATOM 909 NE ARG A 60 1.801 5.405 6.580 1.00 0.00 N ATOM 910 CZ ARG A 60 2.458 6.177 7.443 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.098 7.262 7.025 1.00 0.00 N ATOM 912 NH2 ARG A 60 2.475 5.861 8.731 1.00 0.00 N ATOM 0 H ARG A 60 3.470 3.661 2.512 1.00 0.00 H new ATOM 0 HA ARG A 60 3.033 1.316 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.831 2.755 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.274 3.663 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.709 4.568 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.438 4.110 4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.657 6.129 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.926 6.372 4.939 1.00 0.00 H new ATOM 0 HE ARG A 60 1.318 4.583 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.089 7.510 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.599 7.848 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.985 5.028 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.978 6.451 9.394 1.00 0.00 H new ATOM 926 N LEU A 61 0.486 1.155 3.453 1.00 0.00 N ATOM 927 CA LEU A 61 -0.667 0.696 2.660 1.00 0.00 C ATOM 928 C LEU A 61 -1.968 1.404 3.124 1.00 0.00 C ATOM 929 O LEU A 61 -2.002 1.914 4.241 1.00 0.00 O ATOM 930 CB LEU A 61 -0.834 -0.807 2.902 1.00 0.00 C ATOM 931 CG LEU A 61 -0.888 -1.751 1.696 1.00 0.00 C ATOM 932 CD1 LEU A 61 -2.180 -2.510 1.716 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.710 -1.042 0.380 1.00 0.00 C ATOM 0 H LEU A 61 0.443 0.904 4.441 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.493 0.922 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.010 -1.132 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.752 -0.949 3.472 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.048 -2.439 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.220 -3.182 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.247 -3.091 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.014 -1.810 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.758 -1.766 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.501 -0.303 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.259 -0.543 0.364 1.00 0.00 H new ATOM 945 N CYS A 62 -3.036 1.479 2.284 1.00 0.00 N ATOM 946 CA CYS A 62 -4.250 2.166 2.707 1.00 0.00 C ATOM 947 C CYS A 62 -5.462 1.195 2.886 1.00 0.00 C ATOM 948 O CYS A 62 -5.304 -0.023 2.780 1.00 0.00 O ATOM 949 CB CYS A 62 -4.420 3.462 1.874 1.00 0.00 C ATOM 950 SG CYS A 62 -5.705 3.549 0.644 1.00 0.00 S ATOM 0 H CYS A 62 -3.067 1.082 1.345 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.175 2.534 3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.581 4.282 2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.472 3.654 1.371 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.567 4.639 -0.051 1.00 0.00 H new ATOM 955 N SER A 63 -6.589 1.739 3.346 1.00 0.00 N ATOM 956 CA SER A 63 -7.784 1.003 3.786 1.00 0.00 C ATOM 957 C SER A 63 -8.387 -0.170 2.980 1.00 0.00 C ATOM 958 O SER A 63 -8.105 -1.341 3.239 1.00 0.00 O ATOM 959 CB SER A 63 -8.886 2.040 4.101 1.00 0.00 C ATOM 960 OG SER A 63 -9.133 2.109 5.495 1.00 0.00 O ATOM 0 H SER A 63 -6.703 2.749 3.427 1.00 0.00 H new ATOM 0 HA SER A 63 -7.386 0.439 4.630 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.584 3.020 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.804 1.771 3.578 1.00 0.00 H new ATOM 0 HG SER A 63 -9.993 2.552 5.653 1.00 0.00 H new ATOM 966 N VAL A 64 -9.367 0.182 2.183 1.00 0.00 N ATOM 967 CA VAL A 64 -10.270 -0.772 1.483 1.00 0.00 C ATOM 968 C VAL A 64 -9.695 -1.766 0.469 1.00 0.00 C ATOM 969 O VAL A 64 -10.374 -2.116 -0.498 1.00 0.00 O ATOM 970 CB VAL A 64 -11.418 -0.013 0.817 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.423 0.459 1.857 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.870 1.147 0.029 1.00 0.00 C ATOM 0 H VAL A 64 -9.585 1.158 1.982 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.574 -1.415 2.309 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.939 -0.683 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.232 0.997 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.830 -0.402 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.928 1.121 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.691 1.686 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.332 1.819 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.189 0.777 -0.738 1.00 0.00 H new ATOM 982 N HIS A 65 -8.506 -2.270 0.697 1.00 0.00 N ATOM 983 CA HIS A 65 -7.942 -3.286 -0.210 1.00 0.00 C ATOM 984 C HIS A 65 -7.469 -4.492 0.593 1.00 0.00 C ATOM 985 O HIS A 65 -6.400 -5.052 0.346 1.00 0.00 O ATOM 986 CB HIS A 65 -6.832 -2.715 -1.076 1.00 0.00 C ATOM 987 CG HIS A 65 -6.369 -1.399 -0.626 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.234 -0.384 -0.304 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.136 -0.946 -0.374 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.552 0.628 0.141 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.281 0.303 0.109 1.00 0.00 N ATOM 0 H HIS A 65 -7.907 -2.011 1.481 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.727 -3.612 -0.892 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.990 -3.407 -1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.186 -2.637 -2.104 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.208 -1.477 -0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.959 1.570 0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.515 0.908 0.406 1.00 0.00 H new ATOM 999 N PHE A 66 -8.301 -4.880 1.562 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.033 -6.014 2.434 1.00 0.00 C ATOM 1001 C PHE A 66 -9.240 -6.982 2.418 1.00 0.00 C ATOM 1002 O PHE A 66 -10.039 -6.967 3.354 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.814 -5.514 3.862 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.380 -5.200 4.160 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.410 -6.182 4.066 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -6.001 -3.919 4.528 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.086 -5.892 4.337 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.679 -3.628 4.800 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.721 -4.616 4.705 1.00 0.00 C ATOM 0 H PHE A 66 -9.184 -4.410 1.761 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.143 -6.535 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.417 -4.621 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.168 -6.269 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.690 -7.185 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.746 -3.141 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.337 -6.666 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.395 -2.626 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.687 -4.389 4.919 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.415 -7.804 1.360 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.562 -8.704 1.299 1.00 0.00 C ATOM 1021 C GLN A 67 -10.501 -9.727 2.468 1.00 0.00 C ATOM 1022 O GLN A 67 -9.401 -10.068 2.895 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.577 -9.445 -0.039 1.00 0.00 C ATOM 1024 CG GLN A 67 -9.390 -10.374 -0.234 1.00 0.00 C ATOM 1025 CD GLN A 67 -9.780 -11.839 -0.180 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -10.111 -12.442 -1.200 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -9.738 -12.418 1.013 1.00 0.00 N ATOM 0 H GLN A 67 -8.786 -7.855 0.559 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.475 -8.115 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.497 -10.025 -0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.593 -8.715 -0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.922 -10.162 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.645 -10.172 0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.457 -11.879 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.986 -13.402 1.111 1.00 0.00 H new ATOM 1036 N GLY A 68 -11.646 -10.236 3.007 1.00 0.00 N ATOM 1037 CA GLY A 68 -11.558 -11.193 4.102 1.00 0.00 C ATOM 1038 C GLY A 68 -11.267 -10.543 5.456 1.00 0.00 C ATOM 1039 O GLY A 68 -12.156 -10.487 6.307 1.00 0.00 O ATOM 0 H GLY A 68 -12.591 -10.001 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.495 -11.746 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.775 -11.917 3.879 1.00 0.00 H new ATOM 1043 N GLY A 69 -10.035 -10.055 5.678 1.00 0.00 N ATOM 1044 CA GLY A 69 -9.709 -9.436 6.951 1.00 0.00 C ATOM 1045 C GLY A 69 -8.484 -10.060 7.589 1.00 0.00 C ATOM 1046 O GLY A 69 -8.289 -11.273 7.507 1.00 0.00 O ATOM 0 H GLY A 69 -9.271 -10.081 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.537 -8.370 6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.558 -9.530 7.628 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.645 -9.236 8.210 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.425 -9.729 8.840 1.00 0.00 C ATOM 1052 C ARG A 70 -5.555 -10.394 7.772 1.00 0.00 C ATOM 1053 O ARG A 70 -5.934 -10.413 6.604 1.00 0.00 O ATOM 1054 CB ARG A 70 -6.755 -10.715 9.976 1.00 0.00 C ATOM 1055 CG ARG A 70 -8.190 -10.637 10.468 1.00 0.00 C ATOM 1056 CD ARG A 70 -8.298 -11.027 11.933 1.00 0.00 C ATOM 1057 NE ARG A 70 -9.629 -10.760 12.475 1.00 0.00 N ATOM 1058 CZ ARG A 70 -9.896 -10.674 13.777 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -8.928 -10.831 14.671 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -11.133 -10.429 14.187 1.00 0.00 N ATOM 0 H ARG A 70 -7.787 -8.229 8.290 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.880 -8.896 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.555 -11.730 9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.084 -10.525 10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.568 -9.624 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.818 -11.295 9.868 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.067 -12.087 12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.555 -10.477 12.510 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.398 -10.632 11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.974 -11.018 14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.138 -10.764 15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.881 -10.306 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.336 -10.363 15.184 1.00 0.00 H new ATOM 1074 N LYS A 71 -4.393 -10.925 8.146 1.00 0.00 N ATOM 1075 CA LYS A 71 -3.518 -11.559 7.165 1.00 0.00 C ATOM 1076 C LYS A 71 -3.383 -13.054 7.417 1.00 0.00 C ATOM 1077 O LYS A 71 -2.318 -13.547 7.789 1.00 0.00 O ATOM 1078 CB LYS A 71 -2.150 -10.880 7.154 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.241 -9.371 7.229 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.240 -8.741 5.849 1.00 0.00 C ATOM 1081 CE LYS A 71 -3.599 -8.876 5.182 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.481 -9.119 3.717 1.00 0.00 N ATOM 0 H LYS A 71 -4.041 -10.929 9.103 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.973 -11.437 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.562 -11.246 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.617 -11.162 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.150 -9.087 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.402 -8.984 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.974 -7.687 5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.479 -9.216 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.149 -9.697 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.178 -7.969 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.144 -8.500 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.509 -8.914 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.707 -10.113 3.511 1.00 0.00 H new ATOM 1096 N THR A 72 -4.481 -13.768 7.198 1.00 0.00 N ATOM 1097 CA THR A 72 -4.514 -15.215 7.382 1.00 0.00 C ATOM 1098 C THR A 72 -3.630 -15.912 6.339 1.00 0.00 C ATOM 1099 O THR A 72 -2.508 -15.473 6.083 1.00 0.00 O ATOM 1100 CB THR A 72 -5.958 -15.721 7.291 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.410 -15.705 5.948 1.00 0.00 O ATOM 1102 CG2 THR A 72 -6.934 -14.907 8.111 1.00 0.00 C ATOM 0 H THR A 72 -5.366 -13.365 6.891 1.00 0.00 H new ATOM 0 HA THR A 72 -4.121 -15.452 8.371 1.00 0.00 H new ATOM 0 HB THR A 72 -5.932 -16.735 7.690 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.333 -16.033 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.936 -15.321 8.000 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.642 -14.939 9.161 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.928 -13.874 7.764 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.132 -16.992 5.736 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.371 -17.724 4.727 1.00 0.00 C ATOM 1112 C TYR A 73 -3.698 -17.226 3.323 1.00 0.00 C ATOM 1113 O TYR A 73 -2.802 -16.982 2.516 1.00 0.00 O ATOM 1114 CB TYR A 73 -3.634 -19.235 4.823 1.00 0.00 C ATOM 1115 CG TYR A 73 -4.982 -19.599 5.407 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -5.171 -19.661 6.782 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -6.066 -19.882 4.585 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -6.399 -19.994 7.321 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -7.298 -20.216 5.116 1.00 0.00 C ATOM 1120 CZ TYR A 73 -7.459 -20.271 6.484 1.00 0.00 C ATOM 1121 OH TYR A 73 -8.683 -20.601 7.016 1.00 0.00 O ATOM 0 H TYR A 73 -5.057 -17.376 5.929 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.314 -17.543 4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.554 -19.669 3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.853 -19.689 5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.343 -19.445 7.441 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.944 -19.840 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.528 -20.037 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.130 -20.433 4.462 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.321 -20.765 6.291 1.00 0.00 H new ATOM 1131 N THR A 74 -4.986 -17.075 3.041 1.00 0.00 N ATOM 1132 CA THR A 74 -5.431 -16.603 1.732 1.00 0.00 C ATOM 1133 C THR A 74 -5.199 -15.102 1.590 1.00 0.00 C ATOM 1134 O THR A 74 -4.578 -14.647 0.629 1.00 0.00 O ATOM 1135 CB THR A 74 -6.914 -16.930 1.519 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.487 -17.468 2.698 1.00 0.00 O ATOM 1137 CG2 THR A 74 -7.153 -17.920 0.400 1.00 0.00 C ATOM 0 H THR A 74 -5.741 -17.272 3.698 1.00 0.00 H new ATOM 0 HA THR A 74 -4.845 -17.117 0.970 1.00 0.00 H new ATOM 0 HB THR A 74 -7.381 -15.982 1.252 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.071 -18.332 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.222 -18.108 0.302 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.769 -17.512 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.640 -18.855 0.625 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.701 -14.337 2.555 1.00 0.00 N ATOM 1146 CA VAL A 75 -5.549 -12.885 2.540 1.00 0.00 C ATOM 1147 C VAL A 75 -4.213 -12.487 3.174 1.00 0.00 C ATOM 1148 O VAL A 75 -4.124 -12.323 4.388 1.00 0.00 O ATOM 1149 CB VAL A 75 -6.731 -12.248 3.338 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -6.751 -12.773 4.765 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -6.736 -10.712 3.326 1.00 0.00 C ATOM 0 H VAL A 75 -6.217 -14.698 3.357 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.562 -12.525 1.511 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.642 -12.552 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.580 -12.320 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.874 -13.856 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.813 -12.520 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.587 -10.346 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.812 -10.342 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.813 -10.356 2.299 1.00 0.00 H new ATOM 1161 N ARG A 76 -3.167 -12.317 2.351 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.861 -11.922 2.867 1.00 0.00 C ATOM 1163 C ARG A 76 -1.379 -10.663 2.157 1.00 0.00 C ATOM 1164 O ARG A 76 -0.896 -9.729 2.797 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.834 -13.053 2.709 1.00 0.00 C ATOM 1166 CG ARG A 76 -1.221 -14.111 1.685 1.00 0.00 C ATOM 1167 CD ARG A 76 -0.003 -14.654 0.955 1.00 0.00 C ATOM 1168 NE ARG A 76 -0.352 -15.740 0.042 1.00 0.00 N ATOM 1169 CZ ARG A 76 -1.031 -15.567 -1.089 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -1.434 -14.357 -1.452 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -1.308 -16.610 -1.859 1.00 0.00 N ATOM 0 H ARG A 76 -3.205 -12.446 1.340 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.965 -11.713 3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.125 -12.620 2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.690 -13.535 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.741 -14.928 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.917 -13.683 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.473 -13.849 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.726 -15.012 1.682 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.058 -16.686 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.224 -13.551 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.954 -14.232 -2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.001 -17.543 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.828 -16.480 -2.726 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.534 -10.625 0.832 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.130 -9.449 0.073 1.00 0.00 C ATOM 1187 C VAL A 77 -2.376 -8.706 -0.430 1.00 0.00 C ATOM 1188 O VAL A 77 -3.230 -9.294 -1.094 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.190 -9.832 -1.123 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.462 -11.179 -0.888 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.933 -9.838 -2.445 1.00 0.00 C ATOM 0 H VAL A 77 -1.929 -11.382 0.274 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.563 -8.792 0.732 1.00 0.00 H new ATOM 0 HB VAL A 77 0.586 -9.068 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.109 -11.422 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.055 -11.142 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.308 -11.944 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.246 -10.108 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.745 -10.564 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.343 -8.846 -2.637 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.504 -7.404 -0.103 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.655 -6.568 -0.502 1.00 0.00 C ATOM 1203 C PRO A 78 -3.858 -6.411 -1.973 1.00 0.00 C ATOM 1204 O PRO A 78 -3.775 -5.282 -2.464 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.290 -5.194 0.081 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.443 -5.533 1.244 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.565 -6.620 0.730 1.00 0.00 C ATOM 0 HA PRO A 78 -4.580 -7.024 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.753 -4.580 -0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.177 -4.635 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.863 -4.674 1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.041 -5.867 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.731 -6.230 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.139 -7.217 1.537 1.00 0.00 H new ATOM 1215 N THR A 79 -4.206 -7.464 -2.714 1.00 0.00 N ATOM 1216 CA THR A 79 -4.465 -7.154 -4.083 1.00 0.00 C ATOM 1217 C THR A 79 -5.932 -7.324 -4.436 1.00 0.00 C ATOM 1218 O THR A 79 -6.444 -8.410 -4.706 1.00 0.00 O ATOM 1219 CB THR A 79 -3.620 -8.047 -4.997 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.542 -8.622 -4.286 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.038 -7.310 -6.184 1.00 0.00 C ATOM 0 H THR A 79 -4.303 -8.435 -2.416 1.00 0.00 H new ATOM 0 HA THR A 79 -4.198 -6.108 -4.232 1.00 0.00 H new ATOM 0 HB THR A 79 -4.307 -8.811 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.018 -9.189 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.451 -8.001 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.846 -6.896 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.397 -6.502 -5.832 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.499 -6.155 -4.590 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.825 -5.885 -5.095 1.00 0.00 C ATOM 1231 C ILE A 80 -7.553 -4.894 -6.217 1.00 0.00 C ATOM 1232 O ILE A 80 -6.604 -4.149 -6.070 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.799 -5.337 -4.007 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.775 -6.451 -3.584 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.569 -4.103 -4.482 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -11.139 -5.954 -3.133 1.00 0.00 C ATOM 0 H ILE A 80 -6.006 -5.296 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.344 -6.781 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.201 -5.024 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.910 -7.136 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.324 -7.023 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.233 -3.761 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.865 -3.310 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.158 -4.358 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.762 -6.804 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.020 -5.294 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.615 -5.408 -3.947 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.271 -4.875 -7.323 1.00 0.00 N ATOM 1249 CA PHE A 81 -7.945 -3.911 -8.397 1.00 0.00 C ATOM 1250 C PHE A 81 -6.619 -4.276 -9.056 1.00 0.00 C ATOM 1251 O PHE A 81 -6.168 -3.517 -9.938 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.877 -2.430 -7.889 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.004 -2.183 -6.663 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -5.617 -2.351 -6.704 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -7.586 -1.831 -5.450 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -4.842 -2.173 -5.558 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -6.820 -1.668 -4.308 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.449 -1.839 -4.356 1.00 0.00 C ATOM 1259 OXT PHE A 81 -6.043 -5.320 -8.683 1.00 0.00 O ATOM 0 H PHE A 81 -9.063 -5.489 -7.515 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.757 -3.974 -9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.511 -1.804 -8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.890 -2.098 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.140 -2.622 -7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.654 -1.682 -5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.770 -2.295 -5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.296 -1.406 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.854 -1.713 -3.463 1.00 0.00 H new