USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 Single : X 1 MET CE :methyl -153:sc= -0.143 (180deg=-0.984) USER MOD Single : X 1 MET N :NH3+ -161:sc= -0.0275 (180deg=-0.343) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 6 SER OG : rot 180:sc=-0.000563 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 16 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.382) USER MOD Single : X 17 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.29) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -66:sc= 0.763 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -168:sc= -0.0144 (180deg=-0.201) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : X 42 CYS SG : rot -57:sc= -2.25! USER MOD Single : X 47 GLN : amide:sc= -6.38! C(o=-6.4!,f=-7.8!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 83:sc= 0.442 USER MOD Single : X 64 GLN : amide:sc= -3.5! C(o=-3.5!,f=-5.8!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -4.67! C(o=-4.7!,f=-10!) USER MOD Single : X 69 THR OG1 : rot -21:sc= 0.384 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= -0.241 USER MOD Single : X 84 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.3!) USER MOD Single : X 87 LYS NZ :NH3+ 167:sc= 0.311 (180deg=0.239) USER MOD Single : X 92 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.114) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN :FLIP amide:sc= -0.145 F(o=-2.7!,f=-0.15) USER MOD Single : X 98 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : X 100 MET CE :methyl 155:sc= -0.169 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 64.591 -8.420 -8.134 1.00 1.00 N ATOM 2 CA MET X 1 63.847 -9.594 -8.673 1.00 1.00 C ATOM 3 C MET X 1 62.996 -9.153 -9.859 1.00 1.00 C ATOM 4 O MET X 1 61.768 -9.127 -9.777 1.00 1.00 O ATOM 5 CB MET X 1 62.953 -10.175 -7.576 1.00 1.00 C ATOM 6 CG MET X 1 63.822 -10.802 -6.485 1.00 1.00 C ATOM 7 SD MET X 1 62.760 -11.495 -5.192 1.00 1.00 S ATOM 8 CE MET X 1 62.153 -9.928 -4.513 1.00 1.00 C ATOM 0 H1 MET X 1 65.393 -8.751 -7.560 1.00 1.00 H new ATOM 0 H2 MET X 1 64.945 -7.842 -8.922 1.00 1.00 H new ATOM 0 H3 MET X 1 63.955 -7.847 -7.543 1.00 1.00 H new ATOM 0 HA MET X 1 64.552 -10.357 -9.003 1.00 1.00 H new ATOM 0 HB2 MET X 1 62.326 -9.391 -7.150 1.00 1.00 H new ATOM 0 HB3 MET X 1 62.283 -10.925 -7.997 1.00 1.00 H new ATOM 0 HG2 MET X 1 64.452 -11.583 -6.911 1.00 1.00 H new ATOM 0 HG3 MET X 1 64.489 -10.052 -6.060 1.00 1.00 H new ATOM 0 HE1 MET X 1 61.889 -10.064 -3.464 1.00 1.00 H new ATOM 0 HE2 MET X 1 62.932 -9.170 -4.596 1.00 1.00 H new ATOM 0 HE3 MET X 1 61.273 -9.607 -5.070 1.00 1.00 H new ATOM 20 N GLY X 2 63.656 -8.807 -10.958 1.00 1.00 N ATOM 21 CA GLY X 2 62.947 -8.370 -12.155 1.00 1.00 C ATOM 22 C GLY X 2 62.509 -6.915 -12.031 1.00 1.00 C ATOM 23 O GLY X 2 61.592 -6.475 -12.725 1.00 1.00 O ATOM 0 H GLY X 2 64.672 -8.820 -11.046 1.00 1.00 H new ATOM 0 HA2 GLY X 2 63.591 -8.486 -13.026 1.00 1.00 H new ATOM 0 HA3 GLY X 2 62.075 -9.003 -12.317 1.00 1.00 H new ATOM 27 N GLN X 3 63.170 -6.175 -11.144 1.00 1.00 N ATOM 28 CA GLN X 3 62.843 -4.768 -10.935 1.00 1.00 C ATOM 29 C GLN X 3 64.097 -3.905 -11.034 1.00 1.00 C ATOM 30 O GLN X 3 65.083 -4.146 -10.336 1.00 1.00 O ATOM 31 CB GLN X 3 62.195 -4.581 -9.562 1.00 1.00 C ATOM 32 CG GLN X 3 60.814 -5.238 -9.558 1.00 1.00 C ATOM 33 CD GLN X 3 60.186 -5.125 -8.173 1.00 1.00 C ATOM 34 OE1 GLN X 3 60.778 -4.536 -7.269 1.00 1.00 O ATOM 35 NE2 GLN X 3 59.015 -5.657 -7.951 1.00 1.00 N ATOM 0 H GLN X 3 63.931 -6.524 -10.562 1.00 1.00 H new ATOM 0 HA GLN X 3 62.143 -4.458 -11.711 1.00 1.00 H new ATOM 0 HB2 GLN X 3 62.822 -5.023 -8.788 1.00 1.00 H new ATOM 0 HB3 GLN X 3 62.105 -3.519 -9.331 1.00 1.00 H new ATOM 0 HG2 GLN X 3 60.172 -4.759 -10.297 1.00 1.00 H new ATOM 0 HG3 GLN X 3 60.900 -6.287 -9.843 1.00 1.00 H new ATOM 0 HE21 GLN X 3 58.526 -6.145 -8.702 1.00 1.00 H new ATOM 0 HE22 GLN X 3 58.589 -5.585 -7.027 1.00 1.00 H new ATOM 44 N GLU X 4 64.052 -2.900 -11.902 1.00 1.00 N ATOM 45 CA GLU X 4 65.192 -2.008 -12.080 1.00 1.00 C ATOM 46 C GLU X 4 65.348 -1.098 -10.867 1.00 1.00 C ATOM 47 O GLU X 4 64.472 -0.285 -10.573 1.00 1.00 O ATOM 48 CB GLU X 4 64.995 -1.158 -13.338 1.00 1.00 C ATOM 49 CG GLU X 4 65.043 -2.057 -14.574 1.00 1.00 C ATOM 50 CD GLU X 4 64.785 -1.233 -15.831 1.00 1.00 C ATOM 51 OE1 GLU X 4 64.582 -0.037 -15.700 1.00 1.00 O ATOM 52 OE2 GLU X 4 64.797 -1.810 -16.906 1.00 1.00 O ATOM 0 H GLU X 4 63.246 -2.684 -12.489 1.00 1.00 H new ATOM 0 HA GLU X 4 66.094 -2.611 -12.187 1.00 1.00 H new ATOM 0 HB2 GLU X 4 64.039 -0.637 -13.291 1.00 1.00 H new ATOM 0 HB3 GLU X 4 65.771 -0.395 -13.400 1.00 1.00 H new ATOM 0 HG2 GLU X 4 66.016 -2.544 -14.642 1.00 1.00 H new ATOM 0 HG3 GLU X 4 64.297 -2.847 -14.488 1.00 1.00 H new ATOM 59 N LEU X 5 66.468 -1.239 -10.164 1.00 1.00 N ATOM 60 CA LEU X 5 66.721 -0.423 -8.985 1.00 1.00 C ATOM 61 C LEU X 5 67.188 0.972 -9.396 1.00 1.00 C ATOM 62 O LEU X 5 66.388 1.795 -9.841 1.00 1.00 O ATOM 63 CB LEU X 5 67.784 -1.098 -8.106 1.00 1.00 C ATOM 64 CG LEU X 5 67.937 -0.331 -6.780 1.00 1.00 C ATOM 65 CD1 LEU X 5 66.653 -0.447 -5.958 1.00 1.00 C ATOM 66 CD2 LEU X 5 69.100 -0.918 -5.981 1.00 1.00 C ATOM 0 H LEU X 5 67.207 -1.905 -10.389 1.00 1.00 H new ATOM 0 HA LEU X 5 65.796 -0.326 -8.417 1.00 1.00 H new ATOM 0 HB2 LEU X 5 67.500 -2.131 -7.907 1.00 1.00 H new ATOM 0 HB3 LEU X 5 68.738 -1.125 -8.632 1.00 1.00 H new ATOM 0 HG LEU X 5 68.132 0.719 -6.998 1.00 1.00 H new ATOM 0 HD11 LEU X 5 66.770 0.098 -5.022 1.00 1.00 H new ATOM 0 HD12 LEU X 5 65.821 -0.026 -6.522 1.00 1.00 H new ATOM 0 HD13 LEU X 5 66.452 -1.497 -5.744 1.00 1.00 H new ATOM 0 HD21 LEU X 5 69.208 -0.374 -5.042 1.00 1.00 H new ATOM 0 HD22 LEU X 5 68.903 -1.969 -5.771 1.00 1.00 H new ATOM 0 HD23 LEU X 5 70.020 -0.830 -6.559 1.00 1.00 H new ATOM 78 N SER X 6 68.482 1.235 -9.239 1.00 1.00 N ATOM 79 CA SER X 6 69.037 2.531 -9.589 1.00 1.00 C ATOM 80 C SER X 6 70.490 2.387 -10.024 1.00 1.00 C ATOM 81 O SER X 6 71.108 1.342 -9.822 1.00 1.00 O ATOM 82 CB SER X 6 68.946 3.469 -8.386 1.00 1.00 C ATOM 83 OG SER X 6 69.539 2.843 -7.257 1.00 1.00 O ATOM 0 H SER X 6 69.161 0.568 -8.873 1.00 1.00 H new ATOM 0 HA SER X 6 68.465 2.947 -10.418 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.454 4.409 -8.604 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.904 3.711 -8.177 1.00 1.00 H new ATOM 0 HG SER X 6 69.484 3.443 -6.484 1.00 1.00 H new ATOM 89 N GLN X 7 71.031 3.442 -10.619 1.00 1.00 N ATOM 90 CA GLN X 7 72.413 3.423 -11.079 1.00 1.00 C ATOM 91 C GLN X 7 73.342 2.947 -9.967 1.00 1.00 C ATOM 92 O GLN X 7 74.409 2.394 -10.231 1.00 1.00 O ATOM 93 CB GLN X 7 72.827 4.824 -11.531 1.00 1.00 C ATOM 94 CG GLN X 7 72.029 5.210 -12.777 1.00 1.00 C ATOM 95 CD GLN X 7 72.391 6.626 -13.211 1.00 1.00 C ATOM 96 OE1 GLN X 7 72.124 7.586 -12.489 1.00 1.00 O ATOM 97 NE2 GLN X 7 72.992 6.813 -14.355 1.00 1.00 N ATOM 0 H GLN X 7 70.537 4.317 -10.794 1.00 1.00 H new ATOM 0 HA GLN X 7 72.490 2.732 -11.918 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.647 5.544 -10.733 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.895 4.848 -11.747 1.00 1.00 H new ATOM 0 HG2 GLN X 7 72.239 4.509 -13.585 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.961 5.147 -12.569 1.00 1.00 H new ATOM 0 HE21 GLN X 7 73.212 6.016 -14.952 1.00 1.00 H new ATOM 0 HE22 GLN X 7 73.241 7.756 -14.652 1.00 1.00 H new ATOM 106 N HIS X 8 72.930 3.167 -8.722 1.00 1.00 N ATOM 107 CA HIS X 8 73.738 2.756 -7.580 1.00 1.00 C ATOM 108 C HIS X 8 74.004 1.256 -7.627 1.00 1.00 C ATOM 109 O HIS X 8 75.114 0.803 -7.341 1.00 1.00 O ATOM 110 CB HIS X 8 73.027 3.115 -6.273 1.00 1.00 C ATOM 111 CG HIS X 8 73.144 4.595 -6.027 1.00 1.00 C ATOM 112 ND1 HIS X 8 72.252 5.509 -6.563 1.00 1.00 N ATOM 113 CD2 HIS X 8 74.047 5.334 -5.303 1.00 1.00 C ATOM 114 CE1 HIS X 8 72.632 6.735 -6.158 1.00 1.00 C ATOM 115 NE2 HIS X 8 73.721 6.685 -5.387 1.00 1.00 N ATOM 0 H HIS X 8 72.050 3.623 -8.480 1.00 1.00 H new ATOM 0 HA HIS X 8 74.691 3.284 -7.625 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.977 2.827 -6.327 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.467 2.562 -5.443 1.00 1.00 H new ATOM 0 HD2 HIS X 8 74.883 4.929 -4.752 1.00 1.00 H new ATOM 0 HE1 HIS X 8 72.119 7.647 -6.424 1.00 1.00 H new ATOM 0 HE2 HIS X 8 74.209 7.468 -4.953 1.00 1.00 H new ATOM 123 N GLU X 9 72.982 0.486 -7.994 1.00 1.00 N ATOM 124 CA GLU X 9 73.130 -0.960 -8.079 1.00 1.00 C ATOM 125 C GLU X 9 74.164 -1.330 -9.139 1.00 1.00 C ATOM 126 O GLU X 9 74.990 -2.210 -8.931 1.00 1.00 O ATOM 127 CB GLU X 9 71.790 -1.601 -8.432 1.00 1.00 C ATOM 128 CG GLU X 9 71.479 -2.718 -7.435 1.00 1.00 C ATOM 129 CD GLU X 9 72.556 -3.796 -7.511 1.00 1.00 C ATOM 130 OE1 GLU X 9 73.240 -3.848 -8.519 1.00 1.00 O ATOM 131 OE2 GLU X 9 72.682 -4.551 -6.561 1.00 1.00 O ATOM 0 H GLU X 9 72.054 0.836 -8.234 1.00 1.00 H new ATOM 0 HA GLU X 9 73.467 -1.329 -7.111 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.000 -0.851 -8.412 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.823 -2.002 -9.445 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.429 -2.312 -6.425 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.503 -3.151 -7.653 1.00 1.00 H new ATOM 138 N ARG X 10 74.112 -0.659 -10.278 1.00 1.00 N ATOM 139 CA ARG X 10 75.054 -0.937 -11.350 1.00 1.00 C ATOM 140 C ARG X 10 76.472 -0.547 -10.936 1.00 1.00 C ATOM 141 O ARG X 10 77.440 -1.206 -11.313 1.00 1.00 O ATOM 142 CB ARG X 10 74.658 -0.165 -12.606 1.00 1.00 C ATOM 143 CG ARG X 10 73.334 -0.709 -13.134 1.00 1.00 C ATOM 144 CD ARG X 10 72.951 0.034 -14.413 1.00 1.00 C ATOM 145 NE ARG X 10 71.669 -0.450 -14.910 1.00 1.00 N ATOM 146 CZ ARG X 10 70.526 0.053 -14.454 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.542 0.993 -13.549 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.388 -0.392 -14.913 1.00 1.00 N ATOM 0 H ARG X 10 73.434 0.075 -10.483 1.00 1.00 H new ATOM 0 HA ARG X 10 75.031 -2.007 -11.558 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.564 0.897 -12.380 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.433 -0.262 -13.366 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.421 -1.777 -13.334 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.553 -0.588 -12.383 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.893 1.105 -14.217 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.721 -0.110 -15.171 1.00 1.00 H new ATOM 0 HE ARG X 10 71.649 -1.185 -15.617 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.431 1.342 -13.192 1.00 1.00 H new ATOM 0 HH12 ARG X 10 69.665 1.379 -13.199 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.376 -1.126 -15.622 1.00 1.00 H new ATOM 0 HH22 ARG X 10 68.511 -0.006 -14.563 1.00 1.00 H new ATOM 162 N TYR X 11 76.585 0.540 -10.179 1.00 1.00 N ATOM 163 CA TYR X 11 77.890 1.028 -9.746 1.00 1.00 C ATOM 164 C TYR X 11 78.648 -0.037 -8.960 1.00 1.00 C ATOM 165 O TYR X 11 79.816 -0.312 -9.239 1.00 1.00 O ATOM 166 CB TYR X 11 77.710 2.268 -8.866 1.00 1.00 C ATOM 167 CG TYR X 11 79.056 2.732 -8.367 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.871 3.514 -9.194 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.491 2.383 -7.083 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.121 3.946 -8.737 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.742 2.815 -6.626 1.00 1.00 C ATOM 172 CZ TYR X 11 81.556 3.597 -7.453 1.00 1.00 C ATOM 173 OH TYR X 11 82.790 4.023 -7.003 1.00 1.00 O ATOM 0 H TYR X 11 75.794 1.097 -9.854 1.00 1.00 H new ATOM 0 HA TYR X 11 78.468 1.278 -10.636 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.227 3.063 -9.434 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.058 2.037 -8.024 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.535 3.784 -10.184 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.862 1.780 -6.445 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.750 4.549 -9.375 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.078 2.545 -5.636 1.00 1.00 H new ATOM 0 HH TYR X 11 82.937 3.695 -6.091 1.00 1.00 H new ATOM 183 N VAL X 12 77.984 -0.632 -7.975 1.00 1.00 N ATOM 184 CA VAL X 12 78.616 -1.661 -7.157 1.00 1.00 C ATOM 185 C VAL X 12 78.945 -2.886 -8.005 1.00 1.00 C ATOM 186 O VAL X 12 79.943 -3.568 -7.770 1.00 1.00 O ATOM 187 CB VAL X 12 77.703 -2.055 -5.989 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.775 -3.195 -6.403 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.555 -2.515 -4.810 1.00 1.00 C ATOM 0 H VAL X 12 77.018 -0.422 -7.725 1.00 1.00 H new ATOM 0 HA VAL X 12 79.544 -1.257 -6.752 1.00 1.00 H new ATOM 0 HB VAL X 12 77.105 -1.189 -5.705 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.133 -3.464 -5.564 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.159 -2.876 -7.244 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.370 -4.060 -6.697 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.907 -2.795 -3.980 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.155 -3.375 -5.108 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.213 -1.704 -4.499 1.00 1.00 H new ATOM 199 N GLU X 13 78.100 -3.159 -8.996 1.00 1.00 N ATOM 200 CA GLU X 13 78.310 -4.300 -9.878 1.00 1.00 C ATOM 201 C GLU X 13 79.560 -4.104 -10.727 1.00 1.00 C ATOM 202 O GLU X 13 80.301 -5.052 -10.986 1.00 1.00 O ATOM 203 CB GLU X 13 77.095 -4.492 -10.788 1.00 1.00 C ATOM 204 CG GLU X 13 75.938 -5.074 -9.976 1.00 1.00 C ATOM 205 CD GLU X 13 74.697 -5.196 -10.852 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.780 -4.843 -12.017 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.680 -5.642 -10.347 1.00 1.00 O ATOM 0 H GLU X 13 77.268 -2.608 -9.206 1.00 1.00 H new ATOM 0 HA GLU X 13 78.443 -5.188 -9.260 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.802 -3.538 -11.227 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.346 -5.159 -11.613 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.214 -6.053 -9.584 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.727 -4.435 -9.119 1.00 1.00 H new ATOM 214 N GLN X 14 79.792 -2.869 -11.156 1.00 1.00 N ATOM 215 CA GLN X 14 80.964 -2.570 -11.971 1.00 1.00 C ATOM 216 C GLN X 14 82.241 -2.781 -11.173 1.00 1.00 C ATOM 217 O GLN X 14 83.232 -3.285 -11.700 1.00 1.00 O ATOM 218 CB GLN X 14 80.907 -1.122 -12.466 1.00 1.00 C ATOM 219 CG GLN X 14 79.818 -0.980 -13.529 1.00 1.00 C ATOM 220 CD GLN X 14 79.674 0.482 -13.934 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.432 1.334 -13.471 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.739 0.827 -14.776 1.00 1.00 N ATOM 0 H GLN X 14 79.193 -2.068 -10.957 1.00 1.00 H new ATOM 0 HA GLN X 14 80.965 -3.246 -12.826 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.703 -0.451 -11.632 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.872 -0.832 -12.880 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.068 -1.585 -14.401 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.870 -1.354 -13.143 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.111 0.120 -15.159 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.636 1.804 -15.051 1.00 1.00 H new ATOM 231 N LEU X 15 82.220 -2.387 -9.905 1.00 1.00 N ATOM 232 CA LEU X 15 83.399 -2.539 -9.069 1.00 1.00 C ATOM 233 C LEU X 15 83.771 -4.003 -8.944 1.00 1.00 C ATOM 234 O LEU X 15 84.925 -4.358 -9.099 1.00 1.00 O ATOM 235 CB LEU X 15 83.129 -1.977 -7.671 1.00 1.00 C ATOM 236 CG LEU X 15 82.944 -0.458 -7.766 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.453 0.085 -6.426 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.277 0.216 -8.123 1.00 1.00 C ATOM 0 H LEU X 15 81.414 -1.967 -9.442 1.00 1.00 H new ATOM 0 HA LEU X 15 84.220 -1.993 -9.534 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.237 -2.438 -7.246 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.958 -2.214 -7.004 1.00 1.00 H new ATOM 0 HG LEU X 15 82.211 -0.242 -8.543 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.323 1.165 -6.497 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.500 -0.380 -6.172 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.185 -0.142 -5.651 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.133 1.295 -8.188 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.015 -0.006 -7.352 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.630 -0.161 -9.083 1.00 1.00 H new ATOM 250 N LYS X 16 82.785 -4.842 -8.673 1.00 1.00 N ATOM 251 CA LYS X 16 83.023 -6.266 -8.522 1.00 1.00 C ATOM 252 C LYS X 16 83.734 -6.836 -9.738 1.00 1.00 C ATOM 253 O LYS X 16 84.699 -7.572 -9.598 1.00 1.00 O ATOM 254 CB LYS X 16 81.687 -6.998 -8.347 1.00 1.00 C ATOM 255 CG LYS X 16 81.937 -8.489 -8.102 1.00 1.00 C ATOM 256 CD LYS X 16 80.600 -9.214 -7.971 1.00 1.00 C ATOM 257 CE LYS X 16 80.851 -10.704 -7.711 1.00 1.00 C ATOM 258 NZ LYS X 16 79.549 -11.413 -7.547 1.00 1.00 N ATOM 0 H LYS X 16 81.812 -4.560 -8.553 1.00 1.00 H new ATOM 0 HA LYS X 16 83.653 -6.409 -7.644 1.00 1.00 H new ATOM 0 HB2 LYS X 16 81.135 -6.571 -7.510 1.00 1.00 H new ATOM 0 HB3 LYS X 16 81.071 -6.865 -9.236 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.513 -8.912 -8.925 1.00 1.00 H new ATOM 0 HG3 LYS X 16 82.527 -8.626 -7.196 1.00 1.00 H new ATOM 0 HD2 LYS X 16 80.019 -8.784 -7.155 1.00 1.00 H new ATOM 0 HD3 LYS X 16 80.014 -9.086 -8.881 1.00 1.00 H new ATOM 0 HE2 LYS X 16 81.410 -11.138 -8.540 1.00 1.00 H new ATOM 0 HE3 LYS X 16 81.459 -10.829 -6.815 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.619 -12.090 -6.761 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.800 -10.721 -7.342 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 79.319 -11.923 -8.424 1.00 1.00 H new ATOM 272 N GLN X 17 83.245 -6.518 -10.926 1.00 1.00 N ATOM 273 CA GLN X 17 83.855 -7.050 -12.139 1.00 1.00 C ATOM 274 C GLN X 17 85.324 -6.646 -12.248 1.00 1.00 C ATOM 275 O GLN X 17 86.209 -7.498 -12.406 1.00 1.00 O ATOM 276 CB GLN X 17 83.090 -6.526 -13.352 1.00 1.00 C ATOM 277 CG GLN X 17 81.655 -7.056 -13.318 1.00 1.00 C ATOM 278 CD GLN X 17 81.634 -8.537 -13.681 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.182 -8.932 -14.710 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.027 -9.385 -12.895 1.00 1.00 N ATOM 0 H GLN X 17 82.443 -5.906 -11.078 1.00 1.00 H new ATOM 0 HA GLN X 17 83.808 -8.138 -12.101 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.087 -5.436 -13.350 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.584 -6.842 -14.271 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.229 -6.911 -12.325 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.035 -6.494 -14.016 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.573 -9.056 -12.043 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.006 -10.377 -13.133 1.00 1.00 H new ATOM 289 N ALA X 18 85.580 -5.346 -12.162 1.00 1.00 N ATOM 290 CA ALA X 18 86.943 -4.842 -12.260 1.00 1.00 C ATOM 291 C ALA X 18 87.809 -5.374 -11.130 1.00 1.00 C ATOM 292 O ALA X 18 88.917 -5.847 -11.359 1.00 1.00 O ATOM 293 CB ALA X 18 86.936 -3.314 -12.219 1.00 1.00 C ATOM 0 H ALA X 18 84.868 -4.628 -12.026 1.00 1.00 H new ATOM 0 HA ALA X 18 87.362 -5.185 -13.206 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.958 -2.943 -12.293 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.350 -2.930 -13.054 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.495 -2.977 -11.281 1.00 1.00 H new ATOM 299 N LEU X 19 87.298 -5.293 -9.911 1.00 1.00 N ATOM 300 CA LEU X 19 88.031 -5.765 -8.744 1.00 1.00 C ATOM 301 C LEU X 19 88.280 -7.265 -8.812 1.00 1.00 C ATOM 302 O LEU X 19 89.334 -7.743 -8.392 1.00 1.00 O ATOM 303 CB LEU X 19 87.261 -5.416 -7.461 1.00 1.00 C ATOM 304 CG LEU X 19 87.664 -4.030 -6.920 1.00 1.00 C ATOM 305 CD1 LEU X 19 89.059 -4.124 -6.320 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.657 -2.946 -8.015 1.00 1.00 C ATOM 0 H LEU X 19 86.378 -4.905 -9.703 1.00 1.00 H new ATOM 0 HA LEU X 19 88.999 -5.265 -8.732 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.190 -5.432 -7.663 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.454 -6.174 -6.702 1.00 1.00 H new ATOM 0 HG LEU X 19 86.930 -3.740 -6.168 1.00 1.00 H new ATOM 0 HD11 LEU X 19 89.355 -3.149 -5.934 1.00 1.00 H new ATOM 0 HD12 LEU X 19 89.058 -4.851 -5.508 1.00 1.00 H new ATOM 0 HD13 LEU X 19 89.765 -4.440 -7.088 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.948 -1.989 -7.582 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.362 -3.218 -8.801 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.656 -2.863 -8.439 1.00 1.00 H new ATOM 318 N LYS X 20 87.314 -8.003 -9.326 1.00 1.00 N ATOM 319 CA LYS X 20 87.455 -9.445 -9.426 1.00 1.00 C ATOM 320 C LYS X 20 88.704 -9.798 -10.217 1.00 1.00 C ATOM 321 O LYS X 20 89.397 -10.767 -9.902 1.00 1.00 O ATOM 322 CB LYS X 20 86.225 -10.044 -10.108 1.00 1.00 C ATOM 323 CG LYS X 20 86.323 -11.563 -10.109 1.00 1.00 C ATOM 324 CD LYS X 20 85.066 -12.140 -10.755 1.00 1.00 C ATOM 325 CE LYS X 20 85.150 -13.663 -10.745 1.00 1.00 C ATOM 326 NZ LYS X 20 83.917 -14.228 -11.358 1.00 1.00 N ATOM 0 H LYS X 20 86.431 -7.633 -9.678 1.00 1.00 H new ATOM 0 HA LYS X 20 87.545 -9.858 -8.421 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.320 -9.729 -9.588 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.149 -9.675 -11.131 1.00 1.00 H new ATOM 0 HG2 LYS X 20 87.209 -11.883 -10.657 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.427 -11.935 -9.090 1.00 1.00 H new ATOM 0 HD2 LYS X 20 84.180 -11.809 -10.213 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.969 -11.776 -11.778 1.00 1.00 H new ATOM 0 HE2 LYS X 20 86.029 -13.994 -11.298 1.00 1.00 H new ATOM 0 HE3 LYS X 20 85.261 -14.026 -9.723 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.971 -15.267 -11.353 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 83.086 -13.922 -10.812 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.831 -13.891 -12.338 1.00 1.00 H new ATOM 340 N THR X 21 88.989 -9.014 -11.244 1.00 1.00 N ATOM 341 CA THR X 21 90.165 -9.264 -12.067 1.00 1.00 C ATOM 342 C THR X 21 91.448 -8.948 -11.296 1.00 1.00 C ATOM 343 O THR X 21 92.546 -9.284 -11.740 1.00 1.00 O ATOM 344 CB THR X 21 90.102 -8.421 -13.342 1.00 1.00 C ATOM 345 OG1 THR X 21 90.108 -7.041 -13.004 1.00 1.00 O ATOM 346 CG2 THR X 21 88.819 -8.759 -14.102 1.00 1.00 C ATOM 0 H THR X 21 88.431 -8.208 -11.527 1.00 1.00 H new ATOM 0 HA THR X 21 90.176 -10.321 -12.335 1.00 1.00 H new ATOM 0 HB THR X 21 90.967 -8.638 -13.968 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.283 -6.818 -12.524 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.767 -8.162 -15.012 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.818 -9.818 -14.362 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.956 -8.539 -13.474 1.00 1.00 H new ATOM 354 N ARG X 22 91.308 -8.283 -10.149 1.00 1.00 N ATOM 355 CA ARG X 22 92.474 -7.918 -9.347 1.00 1.00 C ATOM 356 C ARG X 22 92.744 -8.938 -8.245 1.00 1.00 C ATOM 357 O ARG X 22 93.746 -8.834 -7.537 1.00 1.00 O ATOM 358 CB ARG X 22 92.262 -6.547 -8.716 1.00 1.00 C ATOM 359 CG ARG X 22 91.841 -5.565 -9.803 1.00 1.00 C ATOM 360 CD ARG X 22 91.836 -4.148 -9.244 1.00 1.00 C ATOM 361 NE ARG X 22 91.226 -3.236 -10.202 1.00 1.00 N ATOM 362 CZ ARG X 22 91.839 -2.918 -11.338 1.00 1.00 C ATOM 363 NH1 ARG X 22 93.000 -3.442 -11.621 1.00 1.00 N ATOM 364 NH2 ARG X 22 91.279 -2.083 -12.170 1.00 1.00 N ATOM 0 H ARG X 22 90.412 -7.990 -9.759 1.00 1.00 H new ATOM 0 HA ARG X 22 93.336 -7.897 -10.014 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.497 -6.603 -7.941 1.00 1.00 H new ATOM 0 HB3 ARG X 22 93.179 -6.207 -8.235 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.525 -5.630 -10.649 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.849 -5.823 -10.175 1.00 1.00 H new ATOM 0 HD2 ARG X 22 91.286 -4.121 -8.303 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.856 -3.831 -9.026 1.00 1.00 H new ATOM 0 HE ARG X 22 90.311 -2.834 -9.997 1.00 1.00 H new ATOM 0 HH11 ARG X 22 93.437 -4.095 -10.971 1.00 1.00 H new ATOM 0 HH12 ARG X 22 93.471 -3.198 -12.492 1.00 1.00 H new ATOM 0 HH21 ARG X 22 90.371 -1.674 -11.949 1.00 1.00 H new ATOM 0 HH22 ARG X 22 91.749 -1.839 -13.042 1.00 1.00 H new ATOM 378 N GLY X 23 91.857 -9.921 -8.105 1.00 1.00 N ATOM 379 CA GLY X 23 92.024 -10.948 -7.076 1.00 1.00 C ATOM 380 C GLY X 23 90.979 -10.821 -5.972 1.00 1.00 C ATOM 381 O GLY X 23 91.194 -11.274 -4.848 1.00 1.00 O ATOM 0 H GLY X 23 91.024 -10.029 -8.683 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.952 -11.935 -7.533 1.00 1.00 H new ATOM 0 HA3 GLY X 23 93.021 -10.870 -6.643 1.00 1.00 H new ATOM 385 N VAL X 24 89.854 -10.198 -6.295 1.00 1.00 N ATOM 386 CA VAL X 24 88.785 -10.009 -5.318 1.00 1.00 C ATOM 387 C VAL X 24 87.668 -11.024 -5.520 1.00 1.00 C ATOM 388 O VAL X 24 87.214 -11.251 -6.639 1.00 1.00 O ATOM 389 CB VAL X 24 88.220 -8.595 -5.451 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.910 -8.474 -4.667 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.239 -7.594 -4.905 1.00 1.00 C ATOM 0 H VAL X 24 89.656 -9.816 -7.220 1.00 1.00 H new ATOM 0 HA VAL X 24 89.201 -10.154 -4.321 1.00 1.00 H new ATOM 0 HB VAL X 24 88.021 -8.384 -6.502 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.517 -7.462 -4.769 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.184 -9.187 -5.059 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.095 -8.687 -3.614 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.842 -6.583 -4.997 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.437 -7.812 -3.855 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.166 -7.672 -5.473 1.00 1.00 H new ATOM 401 N LYS X 25 87.223 -11.627 -4.423 1.00 1.00 N ATOM 402 CA LYS X 25 86.149 -12.610 -4.490 1.00 1.00 C ATOM 403 C LYS X 25 85.074 -12.296 -3.452 1.00 1.00 C ATOM 404 O LYS X 25 84.961 -12.978 -2.434 1.00 1.00 O ATOM 405 CB LYS X 25 86.713 -14.009 -4.249 1.00 1.00 C ATOM 406 CG LYS X 25 85.623 -15.049 -4.507 1.00 1.00 C ATOM 407 CD LYS X 25 86.226 -16.451 -4.412 1.00 1.00 C ATOM 408 CE LYS X 25 85.141 -17.491 -4.697 1.00 1.00 C ATOM 409 NZ LYS X 25 85.755 -18.848 -4.737 1.00 1.00 N ATOM 0 H LYS X 25 87.585 -11.454 -3.485 1.00 1.00 H new ATOM 0 HA LYS X 25 85.698 -12.570 -5.481 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.564 -14.188 -4.906 1.00 1.00 H new ATOM 0 HB3 LYS X 25 87.077 -14.095 -3.225 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.819 -14.937 -3.780 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.185 -14.896 -5.493 1.00 1.00 H new ATOM 0 HD2 LYS X 25 87.043 -16.557 -5.126 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.647 -16.611 -3.420 1.00 1.00 H new ATOM 0 HE2 LYS X 25 84.371 -17.451 -3.926 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.653 -17.272 -5.647 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 85.019 -19.557 -4.931 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 86.474 -18.882 -5.488 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 86.201 -19.054 -3.821 1.00 1.00 H new ATOM 423 N VAL X 26 84.285 -11.259 -3.726 1.00 1.00 N ATOM 424 CA VAL X 26 83.214 -10.855 -2.822 1.00 1.00 C ATOM 425 C VAL X 26 81.908 -10.685 -3.584 1.00 1.00 C ATOM 426 O VAL X 26 81.877 -10.074 -4.650 1.00 1.00 O ATOM 427 CB VAL X 26 83.577 -9.540 -2.129 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.337 -8.968 -1.444 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.663 -9.793 -1.076 1.00 1.00 C ATOM 0 H VAL X 26 84.368 -10.685 -4.565 1.00 1.00 H new ATOM 0 HA VAL X 26 83.087 -11.635 -2.072 1.00 1.00 H new ATOM 0 HB VAL X 26 83.948 -8.833 -2.871 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.594 -8.031 -0.950 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.562 -8.785 -2.188 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.969 -9.679 -0.705 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.919 -8.854 -0.585 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.293 -10.502 -0.335 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.550 -10.203 -1.559 1.00 1.00 H new ATOM 439 N LYS X 27 80.830 -11.228 -3.030 1.00 1.00 N ATOM 440 CA LYS X 27 79.524 -11.132 -3.669 1.00 1.00 C ATOM 441 C LYS X 27 79.097 -9.672 -3.791 1.00 1.00 C ATOM 442 O LYS X 27 79.411 -8.848 -2.933 1.00 1.00 O ATOM 443 CB LYS X 27 78.488 -11.903 -2.853 1.00 1.00 C ATOM 444 CG LYS X 27 79.075 -13.249 -2.421 1.00 1.00 C ATOM 445 CD LYS X 27 79.658 -13.969 -3.637 1.00 1.00 C ATOM 446 CE LYS X 27 79.868 -15.448 -3.306 1.00 1.00 C ATOM 447 NZ LYS X 27 80.453 -16.141 -4.489 1.00 1.00 N ATOM 0 H LYS X 27 80.834 -11.736 -2.146 1.00 1.00 H new ATOM 0 HA LYS X 27 79.593 -11.564 -4.667 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.196 -11.324 -1.977 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.587 -12.061 -3.446 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.851 -13.095 -1.671 1.00 1.00 H new ATOM 0 HG3 LYS X 27 78.302 -13.863 -1.959 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.985 -13.869 -4.489 1.00 1.00 H new ATOM 0 HD3 LYS X 27 80.605 -13.512 -3.923 1.00 1.00 H new ATOM 0 HE2 LYS X 27 80.531 -15.549 -2.447 1.00 1.00 H new ATOM 0 HE3 LYS X 27 78.919 -15.909 -3.033 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 80.597 -17.147 -4.266 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 79.805 -16.055 -5.298 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 81.366 -15.706 -4.730 1.00 1.00 H new ATOM 461 N TYR X 28 78.386 -9.358 -4.871 1.00 1.00 N ATOM 462 CA TYR X 28 77.929 -7.993 -5.106 1.00 1.00 C ATOM 463 C TYR X 28 77.034 -7.521 -3.967 1.00 1.00 C ATOM 464 O TYR X 28 77.131 -6.378 -3.522 1.00 1.00 O ATOM 465 CB TYR X 28 77.156 -7.915 -6.424 1.00 1.00 C ATOM 466 CG TYR X 28 75.829 -8.619 -6.270 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.736 -7.937 -5.724 1.00 1.00 C ATOM 468 CD2 TYR X 28 75.691 -9.952 -6.676 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.504 -8.587 -5.583 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.460 -10.603 -6.535 1.00 1.00 C ATOM 471 CZ TYR X 28 73.366 -9.920 -5.988 1.00 1.00 C ATOM 472 OH TYR X 28 72.152 -10.562 -5.849 1.00 1.00 O ATOM 0 H TYR X 28 78.116 -10.026 -5.593 1.00 1.00 H new ATOM 0 HA TYR X 28 78.805 -7.347 -5.159 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.997 -6.874 -6.704 1.00 1.00 H new ATOM 0 HB3 TYR X 28 77.734 -8.376 -7.225 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.843 -6.909 -5.411 1.00 1.00 H new ATOM 0 HD2 TYR X 28 76.535 -10.478 -7.098 1.00 1.00 H new ATOM 0 HE1 TYR X 28 72.660 -8.060 -5.162 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.354 -11.631 -6.848 1.00 1.00 H new ATOM 0 HH TYR X 28 72.228 -11.481 -6.180 1.00 1.00 H new ATOM 482 N ALA X 29 76.160 -8.405 -3.501 1.00 1.00 N ATOM 483 CA ALA X 29 75.247 -8.062 -2.418 1.00 1.00 C ATOM 484 C ALA X 29 76.020 -7.525 -1.219 1.00 1.00 C ATOM 485 O ALA X 29 75.581 -6.586 -0.562 1.00 1.00 O ATOM 486 CB ALA X 29 74.453 -9.298 -1.994 1.00 1.00 C ATOM 0 H ALA X 29 76.064 -9.358 -3.853 1.00 1.00 H new ATOM 0 HA ALA X 29 74.563 -7.292 -2.775 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.773 -9.033 -1.184 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.879 -9.671 -2.843 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.140 -10.072 -1.652 1.00 1.00 H new ATOM 492 N ASP X 30 77.171 -8.122 -0.938 1.00 1.00 N ATOM 493 CA ASP X 30 77.984 -7.682 0.191 1.00 1.00 C ATOM 494 C ASP X 30 78.354 -6.210 0.038 1.00 1.00 C ATOM 495 O ASP X 30 78.165 -5.415 0.954 1.00 1.00 O ATOM 496 CB ASP X 30 79.257 -8.526 0.272 1.00 1.00 C ATOM 497 CG ASP X 30 80.112 -8.081 1.452 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.785 -7.068 2.051 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.078 -8.764 1.748 1.00 1.00 O ATOM 0 H ASP X 30 77.560 -8.902 -1.468 1.00 1.00 H new ATOM 0 HA ASP X 30 77.406 -7.806 1.107 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.997 -9.579 0.379 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.825 -8.430 -0.654 1.00 1.00 H new ATOM 504 N LEU X 31 78.880 -5.858 -1.127 1.00 1.00 N ATOM 505 CA LEU X 31 79.270 -4.481 -1.398 1.00 1.00 C ATOM 506 C LEU X 31 78.049 -3.571 -1.413 1.00 1.00 C ATOM 507 O LEU X 31 78.100 -2.447 -0.920 1.00 1.00 O ATOM 508 CB LEU X 31 79.989 -4.387 -2.751 1.00 1.00 C ATOM 509 CG LEU X 31 81.312 -5.157 -2.701 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.965 -5.146 -4.083 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.259 -4.508 -1.687 1.00 1.00 C ATOM 0 H LEU X 31 79.046 -6.505 -1.898 1.00 1.00 H new ATOM 0 HA LEU X 31 79.946 -4.159 -0.606 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.353 -4.793 -3.538 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.177 -3.342 -3.000 1.00 1.00 H new ATOM 0 HG LEU X 31 81.112 -6.185 -2.398 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.906 -5.694 -4.045 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.298 -5.619 -4.804 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.157 -4.117 -4.387 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.197 -5.062 -1.658 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.456 -3.477 -1.981 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.799 -4.522 -0.699 1.00 1.00 H new ATOM 523 N LEU X 32 76.954 -4.057 -1.992 1.00 1.00 N ATOM 524 CA LEU X 32 75.734 -3.263 -2.064 1.00 1.00 C ATOM 525 C LEU X 32 75.234 -2.941 -0.660 1.00 1.00 C ATOM 526 O LEU X 32 74.924 -1.792 -0.347 1.00 1.00 O ATOM 527 CB LEU X 32 74.659 -4.045 -2.832 1.00 1.00 C ATOM 528 CG LEU X 32 73.365 -3.226 -2.916 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.623 -1.923 -3.678 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.301 -4.041 -3.651 1.00 1.00 C ATOM 0 H LEU X 32 76.887 -4.984 -2.412 1.00 1.00 H new ATOM 0 HA LEU X 32 75.946 -2.329 -2.585 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.016 -4.278 -3.835 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.465 -4.995 -2.334 1.00 1.00 H new ATOM 0 HG LEU X 32 73.020 -2.990 -1.909 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.700 -1.346 -3.734 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.384 -1.341 -3.157 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.969 -2.153 -4.686 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.379 -3.463 -3.713 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.652 -4.275 -4.656 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.113 -4.967 -3.108 1.00 1.00 H new ATOM 542 N LYS X 33 75.173 -3.962 0.184 1.00 1.00 N ATOM 543 CA LYS X 33 74.724 -3.778 1.556 1.00 1.00 C ATOM 544 C LYS X 33 75.723 -2.926 2.330 1.00 1.00 C ATOM 545 O LYS X 33 75.338 -2.041 3.094 1.00 1.00 O ATOM 546 CB LYS X 33 74.569 -5.131 2.241 1.00 1.00 C ATOM 547 CG LYS X 33 73.429 -5.905 1.575 1.00 1.00 C ATOM 548 CD LYS X 33 73.341 -7.307 2.179 1.00 1.00 C ATOM 549 CE LYS X 33 72.326 -8.136 1.389 1.00 1.00 C ATOM 550 NZ LYS X 33 70.960 -7.574 1.583 1.00 1.00 N ATOM 0 H LYS X 33 75.427 -4.920 -0.056 1.00 1.00 H new ATOM 0 HA LYS X 33 73.760 -3.269 1.540 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.498 -5.696 2.170 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.360 -4.993 3.302 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.486 -5.377 1.716 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.599 -5.971 0.500 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.319 -7.788 2.154 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.042 -7.246 3.226 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.584 -8.132 0.330 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.353 -9.174 1.720 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.254 -8.245 1.220 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.793 -7.410 2.596 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.879 -6.674 1.069 1.00 1.00 H new ATOM 564 N PHE X 34 77.014 -3.204 2.135 1.00 1.00 N ATOM 565 CA PHE X 34 78.043 -2.460 2.829 1.00 1.00 C ATOM 566 C PHE X 34 78.017 -0.992 2.416 1.00 1.00 C ATOM 567 O PHE X 34 78.286 -0.104 3.226 1.00 1.00 O ATOM 568 CB PHE X 34 79.428 -3.070 2.549 1.00 1.00 C ATOM 569 CG PHE X 34 80.519 -2.215 3.179 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.320 -1.595 4.419 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.724 -2.031 2.489 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.327 -0.792 4.968 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.729 -1.228 3.039 1.00 1.00 C ATOM 574 CZ PHE X 34 82.531 -0.608 4.279 1.00 1.00 C ATOM 0 H PHE X 34 77.359 -3.931 1.509 1.00 1.00 H new ATOM 0 HA PHE X 34 77.846 -2.520 3.899 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.474 -4.083 2.949 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.590 -3.144 1.474 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.391 -1.736 4.951 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.877 -2.509 1.533 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.174 -0.314 5.924 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.658 -1.086 2.507 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.307 0.012 4.703 1.00 1.00 H new ATOM 584 N PHE X 35 77.693 -0.746 1.153 1.00 1.00 N ATOM 585 CA PHE X 35 77.635 0.618 0.640 1.00 1.00 C ATOM 586 C PHE X 35 76.581 1.417 1.406 1.00 1.00 C ATOM 587 O PHE X 35 76.819 2.553 1.810 1.00 1.00 O ATOM 588 CB PHE X 35 77.288 0.595 -0.851 1.00 1.00 C ATOM 589 CG PHE X 35 77.514 1.967 -1.444 1.00 1.00 C ATOM 590 CD1 PHE X 35 76.599 2.999 -1.202 1.00 1.00 C ATOM 591 CD2 PHE X 35 78.647 2.206 -2.229 1.00 1.00 C ATOM 592 CE1 PHE X 35 76.818 4.271 -1.746 1.00 1.00 C ATOM 593 CE2 PHE X 35 78.866 3.477 -2.773 1.00 1.00 C ATOM 594 CZ PHE X 35 77.952 4.509 -2.531 1.00 1.00 C ATOM 0 H PHE X 35 77.468 -1.468 0.468 1.00 1.00 H new ATOM 0 HA PHE X 35 78.607 1.092 0.774 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.904 -0.142 -1.367 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.249 0.295 -0.989 1.00 1.00 H new ATOM 0 HD1 PHE X 35 75.724 2.814 -0.596 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.353 1.410 -2.415 1.00 1.00 H new ATOM 0 HE1 PHE X 35 76.113 5.067 -1.560 1.00 1.00 H new ATOM 0 HE2 PHE X 35 79.740 3.661 -3.380 1.00 1.00 H new ATOM 0 HZ PHE X 35 78.122 5.490 -2.950 1.00 1.00 H new ATOM 604 N ASP X 36 75.418 0.812 1.604 1.00 1.00 N ATOM 605 CA ASP X 36 74.345 1.473 2.336 1.00 1.00 C ATOM 606 C ASP X 36 74.719 1.644 3.807 1.00 1.00 C ATOM 607 O ASP X 36 74.348 2.631 4.441 1.00 1.00 O ATOM 608 CB ASP X 36 73.054 0.667 2.214 1.00 1.00 C ATOM 609 CG ASP X 36 72.329 1.042 0.925 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.198 2.228 0.672 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.902 0.143 0.218 1.00 1.00 O ATOM 0 H ASP X 36 75.194 -0.126 1.272 1.00 1.00 H new ATOM 0 HA ASP X 36 74.191 2.461 1.903 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.279 -0.400 2.218 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.411 0.861 3.073 1.00 1.00 H new ATOM 616 N PHE X 37 75.445 0.666 4.342 1.00 1.00 N ATOM 617 CA PHE X 37 75.852 0.703 5.742 1.00 1.00 C ATOM 618 C PHE X 37 76.668 1.962 6.037 1.00 1.00 C ATOM 619 O PHE X 37 76.381 2.687 6.990 1.00 1.00 O ATOM 620 CB PHE X 37 76.699 -0.528 6.050 1.00 1.00 C ATOM 621 CG PHE X 37 77.001 -0.580 7.527 1.00 1.00 C ATOM 622 CD1 PHE X 37 78.053 0.180 8.054 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.221 -1.376 8.372 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.324 0.141 9.426 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.492 -1.415 9.745 1.00 1.00 C ATOM 626 CZ PHE X 37 77.544 -0.656 10.272 1.00 1.00 C ATOM 0 H PHE X 37 75.762 -0.157 3.830 1.00 1.00 H new ATOM 0 HA PHE X 37 74.958 0.713 6.366 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.170 -1.431 5.745 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.627 -0.495 5.480 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.655 0.796 7.402 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.409 -1.961 7.965 1.00 1.00 H new ATOM 0 HE1 PHE X 37 79.136 0.726 9.833 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.890 -2.030 10.397 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.754 -0.685 11.331 1.00 1.00 H new ATOM 636 N VAL X 38 77.673 2.225 5.205 1.00 1.00 N ATOM 637 CA VAL X 38 78.508 3.416 5.384 1.00 1.00 C ATOM 638 C VAL X 38 77.681 4.669 5.148 1.00 1.00 C ATOM 639 O VAL X 38 77.902 5.699 5.772 1.00 1.00 O ATOM 640 CB VAL X 38 79.714 3.382 4.426 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.229 3.179 2.996 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.501 4.706 4.497 1.00 1.00 C ATOM 0 H VAL X 38 77.929 1.640 4.410 1.00 1.00 H new ATOM 0 HA VAL X 38 78.885 3.428 6.407 1.00 1.00 H new ATOM 0 HB VAL X 38 80.364 2.559 4.724 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.085 3.156 2.321 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.686 2.236 2.926 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.569 4.000 2.716 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.349 4.662 3.813 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.849 5.532 4.214 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.862 4.860 5.514 1.00 1.00 H new ATOM 652 N LYS X 39 76.738 4.581 4.232 1.00 1.00 N ATOM 653 CA LYS X 39 75.892 5.727 3.922 1.00 1.00 C ATOM 654 C LYS X 39 75.010 6.095 5.111 1.00 1.00 C ATOM 655 O LYS X 39 74.695 7.265 5.325 1.00 1.00 O ATOM 656 CB LYS X 39 75.024 5.425 2.700 1.00 1.00 C ATOM 657 CG LYS X 39 74.491 6.735 2.111 1.00 1.00 C ATOM 658 CD LYS X 39 73.753 6.446 0.803 1.00 1.00 C ATOM 659 CE LYS X 39 73.184 7.748 0.237 1.00 1.00 C ATOM 660 NZ LYS X 39 72.506 7.471 -1.062 1.00 1.00 N ATOM 0 H LYS X 39 76.535 3.740 3.692 1.00 1.00 H new ATOM 0 HA LYS X 39 76.539 6.576 3.701 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.607 4.889 1.951 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.194 4.777 2.982 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.819 7.218 2.821 1.00 1.00 H new ATOM 0 HG3 LYS X 39 75.314 7.426 1.931 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.433 5.991 0.083 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.949 5.731 0.978 1.00 1.00 H new ATOM 0 HE2 LYS X 39 72.477 8.185 0.942 1.00 1.00 H new ATOM 0 HE3 LYS X 39 73.983 8.475 0.094 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 72.119 8.356 -1.447 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 73.192 7.072 -1.734 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 71.733 6.791 -0.912 1.00 1.00 H new ATOM 674 N ASP X 40 74.600 5.085 5.867 1.00 1.00 N ATOM 675 CA ASP X 40 73.736 5.306 7.023 1.00 1.00 C ATOM 676 C ASP X 40 74.498 5.945 8.180 1.00 1.00 C ATOM 677 O ASP X 40 74.049 6.932 8.763 1.00 1.00 O ATOM 678 CB ASP X 40 73.152 3.974 7.490 1.00 1.00 C ATOM 679 CG ASP X 40 72.193 3.421 6.441 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.799 4.176 5.567 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.879 2.245 6.520 1.00 1.00 O ATOM 0 H ASP X 40 74.849 4.109 5.703 1.00 1.00 H new ATOM 0 HA ASP X 40 72.940 5.985 6.717 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.956 3.260 7.671 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.628 4.110 8.436 1.00 1.00 H new ATOM 686 N THR X 41 75.648 5.369 8.514 1.00 1.00 N ATOM 687 CA THR X 41 76.455 5.883 9.617 1.00 1.00 C ATOM 688 C THR X 41 77.528 6.828 9.100 1.00 1.00 C ATOM 689 O THR X 41 78.252 7.452 9.878 1.00 1.00 O ATOM 690 CB THR X 41 77.119 4.725 10.371 1.00 1.00 C ATOM 691 OG1 THR X 41 77.611 3.772 9.439 1.00 1.00 O ATOM 692 CG2 THR X 41 76.099 4.061 11.296 1.00 1.00 C ATOM 0 H THR X 41 76.040 4.554 8.043 1.00 1.00 H new ATOM 0 HA THR X 41 75.797 6.428 10.294 1.00 1.00 H new ATOM 0 HB THR X 41 77.947 5.109 10.967 1.00 1.00 H new ATOM 0 HG1 THR X 41 78.037 3.033 9.921 1.00 1.00 H new ATOM 0 HG21 THR X 41 76.574 3.238 11.830 1.00 1.00 H new ATOM 0 HG22 THR X 41 75.727 4.793 12.013 1.00 1.00 H new ATOM 0 HG23 THR X 41 75.267 3.678 10.705 1.00 1.00 H new ATOM 700 N CYS X 42 77.629 6.925 7.787 1.00 1.00 N ATOM 701 CA CYS X 42 78.619 7.789 7.168 1.00 1.00 C ATOM 702 C CYS X 42 78.086 8.329 5.834 1.00 1.00 C ATOM 703 O CYS X 42 78.408 7.811 4.762 1.00 1.00 O ATOM 704 CB CYS X 42 79.910 6.995 6.953 1.00 1.00 C ATOM 705 SG CYS X 42 81.191 7.600 8.072 1.00 1.00 S ATOM 0 H CYS X 42 77.038 6.417 7.129 1.00 1.00 H new ATOM 0 HA CYS X 42 78.826 8.639 7.819 1.00 1.00 H new ATOM 0 HB2 CYS X 42 79.730 5.935 7.130 1.00 1.00 H new ATOM 0 HB3 CYS X 42 80.241 7.093 5.919 1.00 1.00 H new ATOM 0 HG CYS X 42 81.367 8.874 7.881 1.00 1.00 H new ATOM 711 N PRO X 43 77.267 9.349 5.882 1.00 1.00 N ATOM 712 CA PRO X 43 76.665 9.959 4.660 1.00 1.00 C ATOM 713 C PRO X 43 77.724 10.391 3.650 1.00 1.00 C ATOM 714 O PRO X 43 77.540 10.244 2.443 1.00 1.00 O ATOM 715 CB PRO X 43 75.897 11.177 5.188 1.00 1.00 C ATOM 716 CG PRO X 43 75.663 10.909 6.636 1.00 1.00 C ATOM 717 CD PRO X 43 76.821 10.036 7.105 1.00 1.00 C ATOM 0 HA PRO X 43 76.032 9.249 4.128 1.00 1.00 H new ATOM 0 HB2 PRO X 43 76.471 12.093 5.047 1.00 1.00 H new ATOM 0 HB3 PRO X 43 74.954 11.306 4.656 1.00 1.00 H new ATOM 0 HG2 PRO X 43 75.624 11.840 7.202 1.00 1.00 H new ATOM 0 HG3 PRO X 43 74.709 10.404 6.788 1.00 1.00 H new ATOM 0 HD2 PRO X 43 77.621 10.634 7.541 1.00 1.00 H new ATOM 0 HD3 PRO X 43 76.502 9.326 7.868 1.00 1.00 H new ATOM 725 N TRP X 44 78.830 10.931 4.154 1.00 1.00 N ATOM 726 CA TRP X 44 79.897 11.384 3.298 1.00 1.00 C ATOM 727 C TRP X 44 80.542 10.212 2.579 1.00 1.00 C ATOM 728 O TRP X 44 80.042 9.090 2.616 1.00 1.00 O ATOM 729 CB TRP X 44 80.949 12.136 4.118 1.00 1.00 C ATOM 730 CG TRP X 44 81.306 11.339 5.329 1.00 1.00 C ATOM 731 CD1 TRP X 44 81.970 10.161 5.303 1.00 1.00 C ATOM 732 CD2 TRP X 44 81.035 11.625 6.731 1.00 1.00 C ATOM 733 NE1 TRP X 44 82.125 9.706 6.601 1.00 1.00 N ATOM 734 CE2 TRP X 44 81.565 10.574 7.517 1.00 1.00 C ATOM 735 CE3 TRP X 44 80.387 12.684 7.393 1.00 1.00 C ATOM 736 CZ2 TRP X 44 81.456 10.574 8.908 1.00 1.00 C ATOM 737 CZ3 TRP X 44 80.276 12.687 8.793 1.00 1.00 C ATOM 738 CH2 TRP X 44 80.810 11.634 9.549 1.00 1.00 C ATOM 0 H TRP X 44 79.001 11.061 5.151 1.00 1.00 H new ATOM 0 HA TRP X 44 79.476 12.059 2.553 1.00 1.00 H new ATOM 0 HB2 TRP X 44 81.838 12.313 3.512 1.00 1.00 H new ATOM 0 HB3 TRP X 44 80.564 13.112 4.413 1.00 1.00 H new ATOM 0 HD1 TRP X 44 82.322 9.658 4.415 1.00 1.00 H new ATOM 0 HE1 TRP X 44 82.595 8.836 6.850 1.00 1.00 H new ATOM 0 HE3 TRP X 44 79.972 13.500 6.820 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 81.868 9.760 9.485 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 79.776 13.505 9.290 1.00 1.00 H new ATOM 0 HH2 TRP X 44 80.722 11.642 10.625 1.00 1.00 H new ATOM 749 N PHE X 45 81.650 10.493 1.919 1.00 1.00 N ATOM 750 CA PHE X 45 82.375 9.475 1.168 1.00 1.00 C ATOM 751 C PHE X 45 83.614 10.079 0.511 1.00 1.00 C ATOM 752 O PHE X 45 84.696 9.494 0.549 1.00 1.00 O ATOM 753 CB PHE X 45 81.475 8.875 0.079 1.00 1.00 C ATOM 754 CG PHE X 45 81.470 7.373 0.199 1.00 1.00 C ATOM 755 CD1 PHE X 45 82.674 6.663 0.110 1.00 1.00 C ATOM 756 CD2 PHE X 45 80.266 6.687 0.399 1.00 1.00 C ATOM 757 CE1 PHE X 45 82.674 5.268 0.222 1.00 1.00 C ATOM 758 CE2 PHE X 45 80.266 5.291 0.511 1.00 1.00 C ATOM 759 CZ PHE X 45 81.470 4.582 0.423 1.00 1.00 C ATOM 0 H PHE X 45 82.072 11.421 1.885 1.00 1.00 H new ATOM 0 HA PHE X 45 82.678 8.692 1.864 1.00 1.00 H new ATOM 0 HB2 PHE X 45 80.461 9.261 0.178 1.00 1.00 H new ATOM 0 HB3 PHE X 45 81.834 9.170 -0.907 1.00 1.00 H new ATOM 0 HD1 PHE X 45 83.603 7.192 -0.045 1.00 1.00 H new ATOM 0 HD2 PHE X 45 79.337 7.234 0.467 1.00 1.00 H new ATOM 0 HE1 PHE X 45 83.603 4.721 0.153 1.00 1.00 H new ATOM 0 HE2 PHE X 45 79.337 4.762 0.665 1.00 1.00 H new ATOM 0 HZ PHE X 45 81.470 3.506 0.510 1.00 1.00 H new ATOM 769 N PRO X 46 83.473 11.228 -0.101 1.00 1.00 N ATOM 770 CA PRO X 46 84.602 11.918 -0.799 1.00 1.00 C ATOM 771 C PRO X 46 85.675 12.417 0.165 1.00 1.00 C ATOM 772 O PRO X 46 85.384 12.750 1.313 1.00 1.00 O ATOM 773 CB PRO X 46 83.930 13.097 -1.525 1.00 1.00 C ATOM 774 CG PRO X 46 82.467 12.806 -1.485 1.00 1.00 C ATOM 775 CD PRO X 46 82.237 12.019 -0.206 1.00 1.00 C ATOM 0 HA PRO X 46 85.126 11.240 -1.472 1.00 1.00 H new ATOM 0 HB2 PRO X 46 84.156 14.042 -1.032 1.00 1.00 H new ATOM 0 HB3 PRO X 46 84.286 13.180 -2.552 1.00 1.00 H new ATOM 0 HG2 PRO X 46 81.885 13.727 -1.487 1.00 1.00 H new ATOM 0 HG3 PRO X 46 82.158 12.232 -2.359 1.00 1.00 H new ATOM 0 HD2 PRO X 46 82.098 12.673 0.655 1.00 1.00 H new ATOM 0 HD3 PRO X 46 81.352 11.385 -0.271 1.00 1.00 H new ATOM 783 N GLN X 47 86.916 12.472 -0.316 1.00 1.00 N ATOM 784 CA GLN X 47 88.022 12.941 0.510 1.00 1.00 C ATOM 785 C GLN X 47 89.226 13.289 -0.363 1.00 1.00 C ATOM 786 O GLN X 47 89.372 12.761 -1.466 1.00 1.00 O ATOM 787 CB GLN X 47 88.419 11.861 1.518 1.00 1.00 C ATOM 788 CG GLN X 47 89.194 12.496 2.676 1.00 1.00 C ATOM 789 CD GLN X 47 88.253 13.328 3.540 1.00 1.00 C ATOM 790 OE1 GLN X 47 87.150 12.885 3.861 1.00 1.00 O ATOM 791 NE2 GLN X 47 88.623 14.514 3.938 1.00 1.00 N ATOM 0 H GLN X 47 87.177 12.200 -1.264 1.00 1.00 H new ATOM 0 HA GLN X 47 87.699 13.834 1.045 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.529 11.358 1.896 1.00 1.00 H new ATOM 0 HB3 GLN X 47 89.031 11.102 1.031 1.00 1.00 H new ATOM 0 HG2 GLN X 47 89.663 11.719 3.279 1.00 1.00 H new ATOM 0 HG3 GLN X 47 89.995 13.125 2.287 1.00 1.00 H new ATOM 0 HE21 GLN X 47 89.537 14.879 3.671 1.00 1.00 H new ATOM 0 HE22 GLN X 47 87.998 15.076 4.516 1.00 1.00 H new ATOM 800 N GLU X 48 90.081 14.178 0.138 1.00 1.00 N ATOM 801 CA GLU X 48 91.270 14.589 -0.605 1.00 1.00 C ATOM 802 C GLU X 48 92.537 14.188 0.143 1.00 1.00 C ATOM 803 O GLU X 48 92.601 14.291 1.369 1.00 1.00 O ATOM 804 CB GLU X 48 91.251 16.107 -0.813 1.00 1.00 C ATOM 805 CG GLU X 48 92.399 16.506 -1.741 1.00 1.00 C ATOM 806 CD GLU X 48 92.338 18.003 -2.034 1.00 1.00 C ATOM 807 OE1 GLU X 48 91.617 18.696 -1.335 1.00 1.00 O ATOM 808 OE2 GLU X 48 93.002 18.430 -2.963 1.00 1.00 O ATOM 0 H GLU X 48 89.974 14.625 1.049 1.00 1.00 H new ATOM 0 HA GLU X 48 91.265 14.088 -1.573 1.00 1.00 H new ATOM 0 HB2 GLU X 48 90.298 16.415 -1.243 1.00 1.00 H new ATOM 0 HB3 GLU X 48 91.349 16.618 0.145 1.00 1.00 H new ATOM 0 HG2 GLU X 48 93.354 16.256 -1.279 1.00 1.00 H new ATOM 0 HG3 GLU X 48 92.338 15.942 -2.672 1.00 1.00 H new ATOM 815 N GLY X 49 93.541 13.730 -0.603 1.00 1.00 N ATOM 816 CA GLY X 49 94.807 13.311 -0.003 1.00 1.00 C ATOM 817 C GLY X 49 95.033 11.813 -0.187 1.00 1.00 C ATOM 818 O GLY X 49 94.869 11.281 -1.284 1.00 1.00 O ATOM 0 H GLY X 49 93.503 13.640 -1.618 1.00 1.00 H new ATOM 0 HA2 GLY X 49 95.629 13.864 -0.457 1.00 1.00 H new ATOM 0 HA3 GLY X 49 94.808 13.554 1.060 1.00 1.00 H new ATOM 822 N THR X 50 95.398 11.139 0.897 1.00 1.00 N ATOM 823 CA THR X 50 95.636 9.704 0.858 1.00 1.00 C ATOM 824 C THR X 50 94.379 8.980 0.403 1.00 1.00 C ATOM 825 O THR X 50 93.305 9.580 0.338 1.00 1.00 O ATOM 826 CB THR X 50 96.049 9.196 2.242 1.00 1.00 C ATOM 827 OG1 THR X 50 95.197 9.763 3.227 1.00 1.00 O ATOM 828 CG2 THR X 50 97.499 9.590 2.525 1.00 1.00 C ATOM 0 H THR X 50 95.535 11.565 1.814 1.00 1.00 H new ATOM 0 HA THR X 50 96.442 9.505 0.152 1.00 1.00 H new ATOM 0 HB THR X 50 95.962 8.110 2.270 1.00 1.00 H new ATOM 0 HG1 THR X 50 95.459 9.437 4.113 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.789 9.227 3.511 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.150 9.149 1.770 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.593 10.676 2.496 1.00 1.00 H new ATOM 836 N ILE X 51 94.530 7.699 0.073 1.00 1.00 N ATOM 837 CA ILE X 51 93.404 6.893 -0.399 1.00 1.00 C ATOM 838 C ILE X 51 92.120 7.327 0.304 1.00 1.00 C ATOM 839 O ILE X 51 91.971 7.166 1.516 1.00 1.00 O ATOM 840 CB ILE X 51 93.671 5.408 -0.110 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.803 4.887 -1.002 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.407 4.596 -0.391 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.686 3.918 -0.214 1.00 1.00 C ATOM 0 H ILE X 51 95.417 7.198 0.123 1.00 1.00 H new ATOM 0 HA ILE X 51 93.291 7.038 -1.473 1.00 1.00 H new ATOM 0 HB ILE X 51 93.958 5.303 0.936 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.387 4.385 -1.875 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.401 5.721 -1.369 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.598 3.543 -0.186 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.598 4.949 0.248 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.122 4.716 -1.436 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.488 3.553 -0.856 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.115 4.433 0.645 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.085 3.076 0.131 1.00 1.00 H new ATOM 855 N ASP X 52 91.202 7.897 -0.473 1.00 1.00 N ATOM 856 CA ASP X 52 89.938 8.376 0.075 1.00 1.00 C ATOM 857 C ASP X 52 89.128 7.223 0.641 1.00 1.00 C ATOM 858 O ASP X 52 88.461 7.359 1.669 1.00 1.00 O ATOM 859 CB ASP X 52 89.135 9.098 -1.009 1.00 1.00 C ATOM 860 CG ASP X 52 87.751 9.461 -0.483 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.533 9.302 0.707 1.00 1.00 O ATOM 862 OD2 ASP X 52 86.927 9.884 -1.276 1.00 1.00 O ATOM 0 H ASP X 52 91.309 8.037 -1.478 1.00 1.00 H new ATOM 0 HA ASP X 52 90.156 9.075 0.883 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.661 10.000 -1.322 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.042 8.461 -1.889 1.00 1.00 H new ATOM 867 N ILE X 53 89.191 6.085 -0.031 1.00 1.00 N ATOM 868 CA ILE X 53 88.462 4.913 0.415 1.00 1.00 C ATOM 869 C ILE X 53 88.922 4.487 1.800 1.00 1.00 C ATOM 870 O ILE X 53 88.174 3.869 2.545 1.00 1.00 O ATOM 871 CB ILE X 53 88.671 3.766 -0.572 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.857 4.049 -1.825 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.198 2.458 0.043 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.256 3.087 -2.936 1.00 1.00 C ATOM 0 H ILE X 53 89.737 5.950 -0.882 1.00 1.00 H new ATOM 0 HA ILE X 53 87.402 5.164 0.463 1.00 1.00 H new ATOM 0 HB ILE X 53 89.730 3.683 -0.816 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.794 3.946 -1.608 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.018 5.077 -2.148 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.351 1.646 -0.668 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.766 2.257 0.952 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.138 2.533 0.286 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.667 3.298 -3.829 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.315 3.211 -3.162 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.072 2.062 -2.614 1.00 1.00 H new ATOM 886 N LYS X 54 90.153 4.828 2.150 1.00 1.00 N ATOM 887 CA LYS X 54 90.691 4.449 3.450 1.00 1.00 C ATOM 888 C LYS X 54 89.713 4.797 4.558 1.00 1.00 C ATOM 889 O LYS X 54 89.492 4.002 5.472 1.00 1.00 O ATOM 890 CB LYS X 54 92.011 5.181 3.697 1.00 1.00 C ATOM 891 CG LYS X 54 92.793 4.480 4.807 1.00 1.00 C ATOM 892 CD LYS X 54 94.155 5.155 4.967 1.00 1.00 C ATOM 893 CE LYS X 54 94.943 4.453 6.073 1.00 1.00 C ATOM 894 NZ LYS X 54 96.269 5.115 6.236 1.00 1.00 N ATOM 0 H LYS X 54 90.793 5.360 1.561 1.00 1.00 H new ATOM 0 HA LYS X 54 90.858 3.372 3.451 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.602 5.203 2.781 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.816 6.217 3.975 1.00 1.00 H new ATOM 0 HG2 LYS X 54 92.238 4.527 5.744 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.923 3.425 4.566 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.707 5.112 4.028 1.00 1.00 H new ATOM 0 HD3 LYS X 54 94.024 6.209 5.211 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.388 4.491 7.010 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.078 3.400 5.826 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.805 4.638 6.988 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.798 5.056 5.343 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 96.129 6.114 6.491 1.00 1.00 H new ATOM 908 N ARG X 55 89.121 5.976 4.478 1.00 1.00 N ATOM 909 CA ARG X 55 88.164 6.390 5.489 1.00 1.00 C ATOM 910 C ARG X 55 86.928 5.495 5.460 1.00 1.00 C ATOM 911 O ARG X 55 86.355 5.186 6.506 1.00 1.00 O ATOM 912 CB ARG X 55 87.749 7.842 5.267 1.00 1.00 C ATOM 913 CG ARG X 55 88.925 8.760 5.603 1.00 1.00 C ATOM 914 CD ARG X 55 88.489 10.216 5.456 1.00 1.00 C ATOM 915 NE ARG X 55 89.614 11.103 5.723 1.00 1.00 N ATOM 916 CZ ARG X 55 89.423 12.375 6.060 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.211 12.847 6.163 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.448 13.151 6.284 1.00 1.00 N ATOM 0 H ARG X 55 89.283 6.655 3.734 1.00 1.00 H new ATOM 0 HA ARG X 55 88.643 6.300 6.464 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.441 7.990 4.232 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.891 8.087 5.893 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.268 8.572 6.620 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.765 8.551 4.940 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.109 10.390 4.449 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.674 10.431 6.147 1.00 1.00 H new ATOM 0 HE ARG X 55 90.565 10.742 5.650 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.411 12.240 5.985 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.064 13.823 6.422 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.395 12.782 6.201 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.302 14.127 6.543 1.00 1.00 H new ATOM 932 N TRP X 56 86.509 5.090 4.258 1.00 1.00 N ATOM 933 CA TRP X 56 85.332 4.245 4.131 1.00 1.00 C ATOM 934 C TRP X 56 85.560 2.890 4.802 1.00 1.00 C ATOM 935 O TRP X 56 84.761 2.443 5.625 1.00 1.00 O ATOM 936 CB TRP X 56 85.000 4.041 2.645 1.00 1.00 C ATOM 937 CG TRP X 56 83.898 3.034 2.491 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.997 2.721 3.450 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.559 2.221 1.330 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.127 1.768 2.952 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.433 1.428 1.650 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.115 2.097 0.044 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.876 0.542 0.726 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.558 1.207 -0.888 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.440 0.431 -0.547 1.00 1.00 C ATOM 0 H TRP X 56 86.962 5.331 3.377 1.00 1.00 H new ATOM 0 HA TRP X 56 84.496 4.738 4.628 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.700 4.989 2.199 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.888 3.703 2.110 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.963 3.146 4.442 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.354 1.366 3.482 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.976 2.690 -0.228 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 81.015 -0.053 0.994 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.993 1.119 -1.873 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.016 -0.252 -1.268 1.00 1.00 H new ATOM 956 N ARG X 57 86.659 2.245 4.450 1.00 1.00 N ATOM 957 CA ARG X 57 86.986 0.941 5.020 1.00 1.00 C ATOM 958 C ARG X 57 87.228 1.051 6.519 1.00 1.00 C ATOM 959 O ARG X 57 86.914 0.138 7.270 1.00 1.00 O ATOM 960 CB ARG X 57 88.228 0.354 4.352 1.00 1.00 C ATOM 961 CG ARG X 57 88.213 0.653 2.853 1.00 1.00 C ATOM 962 CD ARG X 57 86.998 0.018 2.187 1.00 1.00 C ATOM 963 NE ARG X 57 87.084 0.125 0.736 1.00 1.00 N ATOM 964 CZ ARG X 57 86.049 -0.187 -0.037 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.933 -0.597 0.501 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.149 -0.085 -1.334 1.00 1.00 N ATOM 0 H ARG X 57 87.339 2.597 3.776 1.00 1.00 H new ATOM 0 HA ARG X 57 86.137 0.281 4.842 1.00 1.00 H new ATOM 0 HB2 ARG X 57 89.126 0.774 4.805 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.263 -0.723 4.515 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.199 1.731 2.693 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.125 0.274 2.393 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.928 -1.031 2.475 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.089 0.506 2.538 1.00 1.00 H new ATOM 0 HE ARG X 57 87.952 0.444 0.307 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.855 -0.678 1.515 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.139 -0.836 -0.092 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.022 0.234 -1.755 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.355 -0.325 -1.927 1.00 1.00 H new ATOM 980 N ARG X 58 87.798 2.168 6.946 1.00 1.00 N ATOM 981 CA ARG X 58 88.081 2.375 8.363 1.00 1.00 C ATOM 982 C ARG X 58 86.803 2.297 9.186 1.00 1.00 C ATOM 983 O ARG X 58 86.771 1.664 10.241 1.00 1.00 O ATOM 984 CB ARG X 58 88.734 3.742 8.571 1.00 1.00 C ATOM 985 CG ARG X 58 90.255 3.611 8.470 1.00 1.00 C ATOM 986 CD ARG X 58 90.895 4.993 8.613 1.00 1.00 C ATOM 987 NE ARG X 58 92.349 4.882 8.574 1.00 1.00 N ATOM 988 CZ ARG X 58 93.048 4.634 9.676 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.436 4.491 10.820 1.00 1.00 N ATOM 990 NH2 ARG X 58 94.349 4.530 9.615 1.00 1.00 N ATOM 0 H ARG X 58 88.073 2.941 6.339 1.00 1.00 H new ATOM 0 HA ARG X 58 88.761 1.589 8.693 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.370 4.447 7.823 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.458 4.142 9.547 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.626 2.944 9.248 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.530 3.168 7.513 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.551 5.646 7.810 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.583 5.451 9.552 1.00 1.00 H new ATOM 0 HE ARG X 58 92.837 4.997 7.686 1.00 1.00 H new ATOM 0 HH11 ARG X 58 91.420 4.570 10.868 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.974 4.301 11.666 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.828 4.639 8.721 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.886 4.340 10.461 1.00 1.00 H new ATOM 1004 N VAL X 59 85.749 2.935 8.694 1.00 1.00 N ATOM 1005 CA VAL X 59 84.471 2.922 9.394 1.00 1.00 C ATOM 1006 C VAL X 59 83.929 1.502 9.469 1.00 1.00 C ATOM 1007 O VAL X 59 83.458 1.066 10.516 1.00 1.00 O ATOM 1008 CB VAL X 59 83.465 3.816 8.659 1.00 1.00 C ATOM 1009 CG1 VAL X 59 82.092 3.706 9.326 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.939 5.268 8.716 1.00 1.00 C ATOM 0 H VAL X 59 85.752 3.463 7.821 1.00 1.00 H new ATOM 0 HA VAL X 59 84.621 3.301 10.405 1.00 1.00 H new ATOM 0 HB VAL X 59 83.390 3.494 7.620 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.380 4.343 8.801 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.751 2.672 9.288 1.00 1.00 H new ATOM 0 HG13 VAL X 59 82.166 4.025 10.366 1.00 1.00 H new ATOM 0 HG21 VAL X 59 83.225 5.905 8.194 1.00 1.00 H new ATOM 0 HG22 VAL X 59 84.015 5.585 9.756 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.915 5.351 8.239 1.00 1.00 H new ATOM 1020 N GLY X 60 84.001 0.791 8.351 1.00 1.00 N ATOM 1021 CA GLY X 60 83.513 -0.578 8.294 1.00 1.00 C ATOM 1022 C GLY X 60 84.367 -1.503 9.146 1.00 1.00 C ATOM 1023 O GLY X 60 83.859 -2.276 9.928 1.00 1.00 O ATOM 0 H GLY X 60 84.391 1.139 7.475 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.480 -0.613 8.639 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.516 -0.925 7.261 1.00 1.00 H new ATOM 1027 N ASP X 61 85.664 -1.423 8.995 1.00 1.00 N ATOM 1028 CA ASP X 61 86.547 -2.280 9.765 1.00 1.00 C ATOM 1029 C ASP X 61 86.210 -2.207 11.252 1.00 1.00 C ATOM 1030 O ASP X 61 86.193 -3.230 11.947 1.00 1.00 O ATOM 1031 CB ASP X 61 87.999 -1.844 9.549 1.00 1.00 C ATOM 1032 CG ASP X 61 88.458 -2.225 8.145 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.854 -3.112 7.566 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.403 -1.619 7.668 1.00 1.00 O ATOM 0 H ASP X 61 86.134 -0.783 8.355 1.00 1.00 H new ATOM 0 HA ASP X 61 86.414 -3.308 9.428 1.00 1.00 H new ATOM 0 HB2 ASP X 61 88.088 -0.767 9.689 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.643 -2.316 10.291 1.00 1.00 H new ATOM 1039 N CYS X 62 85.940 -1.001 11.739 1.00 1.00 N ATOM 1040 CA CYS X 62 85.625 -0.831 13.152 1.00 1.00 C ATOM 1041 C CYS X 62 84.192 -1.244 13.455 1.00 1.00 C ATOM 1042 O CYS X 62 83.930 -2.015 14.385 1.00 1.00 O ATOM 1043 CB CYS X 62 85.840 0.628 13.551 1.00 1.00 C ATOM 1044 SG CYS X 62 87.568 1.086 13.265 1.00 1.00 S ATOM 0 H CYS X 62 85.933 -0.142 11.189 1.00 1.00 H new ATOM 0 HA CYS X 62 86.289 -1.474 13.730 1.00 1.00 H new ATOM 0 HB2 CYS X 62 85.181 1.275 12.972 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.584 0.770 14.601 1.00 1.00 H new ATOM 0 HG CYS X 62 87.730 1.410 12.016 1.00 1.00 H new ATOM 1050 N PHE X 63 83.267 -0.707 12.678 1.00 1.00 N ATOM 1051 CA PHE X 63 81.861 -0.997 12.877 1.00 1.00 C ATOM 1052 C PHE X 63 81.572 -2.474 12.645 1.00 1.00 C ATOM 1053 O PHE X 63 80.871 -3.101 13.425 1.00 1.00 O ATOM 1054 CB PHE X 63 81.015 -0.137 11.939 1.00 1.00 C ATOM 1055 CG PHE X 63 80.852 1.254 12.526 1.00 1.00 C ATOM 1056 CD1 PHE X 63 81.933 1.916 13.117 1.00 1.00 C ATOM 1057 CD2 PHE X 63 79.594 1.867 12.483 1.00 1.00 C ATOM 1058 CE1 PHE X 63 81.758 3.193 13.664 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.419 3.144 13.030 1.00 1.00 C ATOM 1060 CZ PHE X 63 80.500 3.806 13.621 1.00 1.00 C ATOM 0 H PHE X 63 83.465 -0.070 11.906 1.00 1.00 H new ATOM 0 HA PHE X 63 81.602 -0.760 13.909 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.490 -0.075 10.960 1.00 1.00 H new ATOM 0 HB3 PHE X 63 80.038 -0.597 11.791 1.00 1.00 H new ATOM 0 HD1 PHE X 63 82.903 1.442 13.151 1.00 1.00 H new ATOM 0 HD2 PHE X 63 78.759 1.355 12.028 1.00 1.00 H new ATOM 0 HE1 PHE X 63 82.593 3.705 14.119 1.00 1.00 H new ATOM 0 HE2 PHE X 63 78.449 3.618 12.996 1.00 1.00 H new ATOM 0 HZ PHE X 63 80.364 4.790 14.044 1.00 1.00 H new ATOM 1070 N GLN X 64 82.130 -3.015 11.573 1.00 1.00 N ATOM 1071 CA GLN X 64 81.941 -4.422 11.229 1.00 1.00 C ATOM 1072 C GLN X 64 82.380 -5.317 12.379 1.00 1.00 C ATOM 1073 O GLN X 64 81.737 -6.325 12.666 1.00 1.00 O ATOM 1074 CB GLN X 64 82.763 -4.775 9.985 1.00 1.00 C ATOM 1075 CG GLN X 64 82.238 -3.997 8.777 1.00 1.00 C ATOM 1076 CD GLN X 64 83.325 -3.880 7.714 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.427 -4.399 7.890 1.00 1.00 O ATOM 1078 NE2 GLN X 64 83.079 -3.219 6.616 1.00 1.00 N ATOM 0 H GLN X 64 82.721 -2.500 10.921 1.00 1.00 H new ATOM 0 HA GLN X 64 80.881 -4.583 11.030 1.00 1.00 H new ATOM 0 HB2 GLN X 64 83.813 -4.538 10.153 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.705 -5.846 9.792 1.00 1.00 H new ATOM 0 HG2 GLN X 64 81.365 -4.501 8.362 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.914 -3.004 9.088 1.00 1.00 H new ATOM 0 HE21 GLN X 64 82.165 -2.790 6.473 1.00 1.00 H new ATOM 0 HE22 GLN X 64 83.801 -3.131 5.901 1.00 1.00 H new ATOM 1087 N ASP X 65 83.479 -4.954 13.032 1.00 1.00 N ATOM 1088 CA ASP X 65 83.973 -5.759 14.141 1.00 1.00 C ATOM 1089 C ASP X 65 82.908 -5.862 15.227 1.00 1.00 C ATOM 1090 O ASP X 65 82.613 -6.951 15.722 1.00 1.00 O ATOM 1091 CB ASP X 65 85.241 -5.128 14.719 1.00 1.00 C ATOM 1092 CG ASP X 65 86.408 -5.321 13.756 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.302 -6.173 12.889 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.387 -4.608 13.895 1.00 1.00 O ATOM 0 H ASP X 65 84.034 -4.125 12.818 1.00 1.00 H new ATOM 0 HA ASP X 65 84.206 -6.759 13.775 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.079 -4.065 14.898 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.475 -5.581 15.682 1.00 1.00 H new ATOM 1099 N TYR X 66 82.325 -4.724 15.588 1.00 1.00 N ATOM 1100 CA TYR X 66 81.280 -4.700 16.610 1.00 1.00 C ATOM 1101 C TYR X 66 79.976 -5.309 16.094 1.00 1.00 C ATOM 1102 O TYR X 66 79.311 -6.056 16.806 1.00 1.00 O ATOM 1103 CB TYR X 66 81.039 -3.265 17.074 1.00 1.00 C ATOM 1104 CG TYR X 66 79.583 -3.088 17.432 1.00 1.00 C ATOM 1105 CD1 TYR X 66 79.054 -3.711 18.568 1.00 1.00 C ATOM 1106 CD2 TYR X 66 78.762 -2.296 16.621 1.00 1.00 C ATOM 1107 CE1 TYR X 66 77.703 -3.544 18.893 1.00 1.00 C ATOM 1108 CE2 TYR X 66 77.410 -2.128 16.946 1.00 1.00 C ATOM 1109 CZ TYR X 66 76.881 -2.752 18.082 1.00 1.00 C ATOM 1110 OH TYR X 66 75.549 -2.588 18.402 1.00 1.00 O ATOM 0 H TYR X 66 82.554 -3.812 15.193 1.00 1.00 H new ATOM 0 HA TYR X 66 81.620 -5.303 17.452 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.666 -3.041 17.937 1.00 1.00 H new ATOM 0 HB3 TYR X 66 81.318 -2.565 16.286 1.00 1.00 H new ATOM 0 HD1 TYR X 66 79.688 -4.321 19.194 1.00 1.00 H new ATOM 0 HD2 TYR X 66 79.171 -1.815 15.745 1.00 1.00 H new ATOM 0 HE1 TYR X 66 77.295 -4.026 19.769 1.00 1.00 H new ATOM 0 HE2 TYR X 66 76.776 -1.517 16.320 1.00 1.00 H new ATOM 0 HH TYR X 66 75.122 -2.008 17.737 1.00 1.00 H new ATOM 1120 N TYR X 67 79.610 -4.971 14.861 1.00 1.00 N ATOM 1121 CA TYR X 67 78.376 -5.478 14.266 1.00 1.00 C ATOM 1122 C TYR X 67 78.391 -6.995 14.150 1.00 1.00 C ATOM 1123 O TYR X 67 77.426 -7.662 14.526 1.00 1.00 O ATOM 1124 CB TYR X 67 78.184 -4.873 12.871 1.00 1.00 C ATOM 1125 CG TYR X 67 76.869 -4.132 12.810 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.610 -3.081 13.697 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.906 -4.502 11.863 1.00 1.00 C ATOM 1128 CE1 TYR X 67 75.387 -2.399 13.637 1.00 1.00 C ATOM 1129 CE2 TYR X 67 74.685 -3.821 11.803 1.00 1.00 C ATOM 1130 CZ TYR X 67 74.426 -2.769 12.690 1.00 1.00 C ATOM 1131 OH TYR X 67 73.222 -2.099 12.632 1.00 1.00 O ATOM 0 H TYR X 67 80.148 -4.351 14.256 1.00 1.00 H new ATOM 0 HA TYR X 67 77.553 -5.190 14.920 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.005 -4.194 12.643 1.00 1.00 H new ATOM 0 HB3 TYR X 67 78.203 -5.660 12.118 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.352 -2.795 14.428 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.106 -5.313 11.179 1.00 1.00 H new ATOM 0 HE1 TYR X 67 75.187 -1.588 14.322 1.00 1.00 H new ATOM 0 HE2 TYR X 67 73.943 -4.107 11.073 1.00 1.00 H new ATOM 0 HH TYR X 67 72.670 -2.480 11.918 1.00 1.00 H new ATOM 1141 N ASN X 68 79.481 -7.536 13.625 1.00 1.00 N ATOM 1142 CA ASN X 68 79.596 -8.975 13.462 1.00 1.00 C ATOM 1143 C ASN X 68 79.544 -9.671 14.814 1.00 1.00 C ATOM 1144 O ASN X 68 78.883 -10.697 14.970 1.00 1.00 O ATOM 1145 CB ASN X 68 80.911 -9.309 12.765 1.00 1.00 C ATOM 1146 CG ASN X 68 80.757 -9.172 11.255 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.597 -9.666 10.504 1.00 1.00 O ATOM 1148 ND2 ASN X 68 79.731 -8.535 10.762 1.00 1.00 N ATOM 0 H ASN X 68 80.291 -7.004 13.307 1.00 1.00 H new ATOM 0 HA ASN X 68 78.761 -9.325 12.855 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.698 -8.643 13.119 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.216 -10.325 13.016 1.00 1.00 H new ATOM 0 HD21 ASN X 68 79.624 -8.446 9.752 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.036 -8.126 11.387 1.00 1.00 H new ATOM 1155 N THR X 69 80.239 -9.102 15.790 1.00 1.00 N ATOM 1156 CA THR X 69 80.256 -9.677 17.126 1.00 1.00 C ATOM 1157 C THR X 69 78.881 -9.540 17.771 1.00 1.00 C ATOM 1158 O THR X 69 78.424 -10.438 18.479 1.00 1.00 O ATOM 1159 CB THR X 69 81.304 -8.966 17.986 1.00 1.00 C ATOM 1160 OG1 THR X 69 81.004 -7.578 18.047 1.00 1.00 O ATOM 1161 CG2 THR X 69 82.689 -9.162 17.366 1.00 1.00 C ATOM 0 H THR X 69 80.792 -8.252 15.683 1.00 1.00 H new ATOM 0 HA THR X 69 80.511 -10.734 17.052 1.00 1.00 H new ATOM 0 HB THR X 69 81.294 -9.384 18.993 1.00 1.00 H new ATOM 0 HG1 THR X 69 80.433 -7.333 17.289 1.00 1.00 H new ATOM 0 HG21 THR X 69 83.436 -8.656 17.977 1.00 1.00 H new ATOM 0 HG22 THR X 69 82.919 -10.226 17.319 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.700 -8.743 16.360 1.00 1.00 H new ATOM 1169 N PHE X 70 78.230 -8.408 17.521 1.00 1.00 N ATOM 1170 CA PHE X 70 76.906 -8.159 18.078 1.00 1.00 C ATOM 1171 C PHE X 70 75.894 -9.168 17.534 1.00 1.00 C ATOM 1172 O PHE X 70 75.060 -9.683 18.279 1.00 1.00 O ATOM 1173 CB PHE X 70 76.447 -6.726 17.757 1.00 1.00 C ATOM 1174 CG PHE X 70 75.250 -6.359 18.612 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.384 -6.296 20.004 1.00 1.00 C ATOM 1176 CD2 PHE X 70 74.014 -6.084 18.015 1.00 1.00 C ATOM 1177 CE1 PHE X 70 74.282 -5.959 20.800 1.00 1.00 C ATOM 1178 CE2 PHE X 70 72.912 -5.746 18.809 1.00 1.00 C ATOM 1179 CZ PHE X 70 73.046 -5.683 20.202 1.00 1.00 C ATOM 0 H PHE X 70 78.595 -7.653 16.940 1.00 1.00 H new ATOM 0 HA PHE X 70 76.965 -8.274 19.160 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.262 -6.025 17.939 1.00 1.00 H new ATOM 0 HB3 PHE X 70 76.188 -6.647 16.701 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.338 -6.507 20.464 1.00 1.00 H new ATOM 0 HD2 PHE X 70 73.911 -6.133 16.941 1.00 1.00 H new ATOM 0 HE1 PHE X 70 74.385 -5.912 21.874 1.00 1.00 H new ATOM 0 HE2 PHE X 70 71.959 -5.534 18.348 1.00 1.00 H new ATOM 0 HZ PHE X 70 72.196 -5.422 20.815 1.00 1.00 H new ATOM 1189 N GLY X 71 75.961 -9.432 16.229 1.00 1.00 N ATOM 1190 CA GLY X 71 75.032 -10.368 15.602 1.00 1.00 C ATOM 1191 C GLY X 71 74.893 -10.085 14.106 1.00 1.00 C ATOM 1192 O GLY X 71 75.300 -10.895 13.272 1.00 1.00 O ATOM 0 H GLY X 71 76.641 -9.016 15.593 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.383 -11.389 15.751 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.056 -10.293 16.082 1.00 1.00 H new ATOM 1196 N PRO X 72 74.326 -8.960 13.754 1.00 1.00 N ATOM 1197 CA PRO X 72 74.125 -8.554 12.327 1.00 1.00 C ATOM 1198 C PRO X 72 75.400 -8.650 11.499 1.00 1.00 C ATOM 1199 O PRO X 72 76.326 -7.854 11.658 1.00 1.00 O ATOM 1200 CB PRO X 72 73.637 -7.100 12.412 1.00 1.00 C ATOM 1201 CG PRO X 72 73.866 -6.671 13.826 1.00 1.00 C ATOM 1202 CD PRO X 72 73.812 -7.939 14.667 1.00 1.00 C ATOM 0 HA PRO X 72 73.419 -9.215 11.825 1.00 1.00 H new ATOM 0 HB2 PRO X 72 74.185 -6.463 11.717 1.00 1.00 H new ATOM 0 HB3 PRO X 72 72.582 -7.026 12.148 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.831 -6.175 13.931 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.105 -5.959 14.145 1.00 1.00 H new ATOM 0 HD2 PRO X 72 74.425 -7.855 15.565 1.00 1.00 H new ATOM 0 HD3 PRO X 72 72.797 -8.164 14.994 1.00 1.00 H new ATOM 1210 N GLU X 73 75.424 -9.636 10.613 1.00 1.00 N ATOM 1211 CA GLU X 73 76.563 -9.861 9.739 1.00 1.00 C ATOM 1212 C GLU X 73 76.396 -9.111 8.419 1.00 1.00 C ATOM 1213 O GLU X 73 77.195 -9.290 7.501 1.00 1.00 O ATOM 1214 CB GLU X 73 76.739 -11.360 9.480 1.00 1.00 C ATOM 1215 CG GLU X 73 75.555 -11.892 8.668 1.00 1.00 C ATOM 1216 CD GLU X 73 75.659 -13.407 8.528 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.735 -13.881 8.203 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.660 -14.072 8.750 1.00 1.00 O ATOM 0 H GLU X 73 74.659 -10.298 10.481 1.00 1.00 H new ATOM 0 HA GLU X 73 77.456 -9.479 10.234 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.670 -11.538 8.941 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.812 -11.895 10.427 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.618 -11.627 9.159 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.541 -11.427 7.682 1.00 1.00 H new ATOM 1225 N LYS X 74 75.345 -8.295 8.319 1.00 1.00 N ATOM 1226 CA LYS X 74 75.074 -7.550 7.097 1.00 1.00 C ATOM 1227 C LYS X 74 76.368 -7.062 6.470 1.00 1.00 C ATOM 1228 O LYS X 74 76.516 -7.077 5.248 1.00 1.00 O ATOM 1229 CB LYS X 74 74.168 -6.349 7.410 1.00 1.00 C ATOM 1230 CG LYS X 74 73.965 -5.497 6.152 1.00 1.00 C ATOM 1231 CD LYS X 74 73.027 -4.333 6.464 1.00 1.00 C ATOM 1232 CE LYS X 74 72.879 -3.461 5.216 1.00 1.00 C ATOM 1233 NZ LYS X 74 71.944 -2.338 5.504 1.00 1.00 N ATOM 0 H LYS X 74 74.672 -8.136 9.069 1.00 1.00 H new ATOM 0 HA LYS X 74 74.572 -8.212 6.392 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.204 -6.698 7.781 1.00 1.00 H new ATOM 0 HB3 LYS X 74 74.614 -5.744 8.200 1.00 1.00 H new ATOM 0 HG2 LYS X 74 74.924 -5.119 5.799 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.548 -6.108 5.351 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.053 -4.709 6.778 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.422 -3.743 7.291 1.00 1.00 H new ATOM 0 HE2 LYS X 74 73.851 -3.071 4.914 1.00 1.00 H new ATOM 0 HE3 LYS X 74 72.503 -4.058 4.385 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 71.843 -1.744 4.656 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.015 -2.720 5.772 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.321 -1.764 6.285 1.00 1.00 H new ATOM 1247 N VAL X 75 77.294 -6.620 7.306 1.00 1.00 N ATOM 1248 CA VAL X 75 78.564 -6.120 6.822 1.00 1.00 C ATOM 1249 C VAL X 75 79.724 -6.922 7.423 1.00 1.00 C ATOM 1250 O VAL X 75 80.289 -6.546 8.447 1.00 1.00 O ATOM 1251 CB VAL X 75 78.686 -4.645 7.189 1.00 1.00 C ATOM 1252 CG1 VAL X 75 77.643 -3.838 6.417 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.446 -4.462 8.685 1.00 1.00 C ATOM 0 H VAL X 75 77.187 -6.599 8.320 1.00 1.00 H new ATOM 0 HA VAL X 75 78.609 -6.231 5.739 1.00 1.00 H new ATOM 0 HB VAL X 75 79.687 -4.297 6.934 1.00 1.00 H new ATOM 0 HG11 VAL X 75 77.731 -2.784 6.680 1.00 1.00 H new ATOM 0 HG12 VAL X 75 77.808 -3.960 5.346 1.00 1.00 H new ATOM 0 HG13 VAL X 75 76.645 -4.194 6.673 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.534 -3.406 8.941 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.446 -4.814 8.939 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.186 -5.034 9.245 1.00 1.00 H new ATOM 1263 N PRO X 76 80.088 -8.020 6.802 1.00 1.00 N ATOM 1264 CA PRO X 76 81.207 -8.887 7.281 1.00 1.00 C ATOM 1265 C PRO X 76 82.542 -8.147 7.327 1.00 1.00 C ATOM 1266 O PRO X 76 82.786 -7.238 6.534 1.00 1.00 O ATOM 1267 CB PRO X 76 81.263 -10.024 6.255 1.00 1.00 C ATOM 1268 CG PRO X 76 79.937 -10.015 5.573 1.00 1.00 C ATOM 1269 CD PRO X 76 79.471 -8.567 5.583 1.00 1.00 C ATOM 0 HA PRO X 76 81.035 -9.230 8.301 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.072 -9.868 5.541 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.447 -10.982 6.741 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.020 -10.391 4.553 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.226 -10.657 6.093 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.800 -8.033 4.692 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.384 -8.495 5.615 1.00 1.00 H new ATOM 1277 N VAL X 77 83.398 -8.544 8.265 1.00 1.00 N ATOM 1278 CA VAL X 77 84.706 -7.917 8.414 1.00 1.00 C ATOM 1279 C VAL X 77 85.615 -8.277 7.239 1.00 1.00 C ATOM 1280 O VAL X 77 86.567 -7.558 6.939 1.00 1.00 O ATOM 1281 CB VAL X 77 85.360 -8.371 9.720 1.00 1.00 C ATOM 1282 CG1 VAL X 77 84.294 -8.521 10.807 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.062 -9.713 9.500 1.00 1.00 C ATOM 0 H VAL X 77 83.210 -9.294 8.930 1.00 1.00 H new ATOM 0 HA VAL X 77 84.565 -6.836 8.433 1.00 1.00 H new ATOM 0 HB VAL X 77 86.091 -7.626 10.035 1.00 1.00 H new ATOM 0 HG11 VAL X 77 84.764 -8.845 11.736 1.00 1.00 H new ATOM 0 HG12 VAL X 77 83.799 -7.563 10.966 1.00 1.00 H new ATOM 0 HG13 VAL X 77 83.558 -9.262 10.495 1.00 1.00 H new ATOM 0 HG21 VAL X 77 86.528 -10.037 10.431 1.00 1.00 H new ATOM 0 HG22 VAL X 77 85.332 -10.457 9.182 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.826 -9.602 8.731 1.00 1.00 H new ATOM 1293 N THR X 78 85.317 -9.398 6.586 1.00 1.00 N ATOM 1294 CA THR X 78 86.115 -9.853 5.449 1.00 1.00 C ATOM 1295 C THR X 78 86.412 -8.694 4.498 1.00 1.00 C ATOM 1296 O THR X 78 87.280 -8.790 3.625 1.00 1.00 O ATOM 1297 CB THR X 78 85.362 -10.951 4.693 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.271 -10.374 3.988 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.833 -11.989 5.685 1.00 1.00 C ATOM 0 H THR X 78 84.533 -10.006 6.823 1.00 1.00 H new ATOM 0 HA THR X 78 87.058 -10.247 5.827 1.00 1.00 H new ATOM 0 HB THR X 78 86.039 -11.435 3.989 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.788 -11.075 3.502 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.297 -12.769 5.144 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.668 -12.432 6.228 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.156 -11.507 6.390 1.00 1.00 H new ATOM 1307 N ALA X 79 85.686 -7.598 4.679 1.00 1.00 N ATOM 1308 CA ALA X 79 85.868 -6.424 3.844 1.00 1.00 C ATOM 1309 C ALA X 79 87.315 -5.939 3.916 1.00 1.00 C ATOM 1310 O ALA X 79 87.804 -5.286 2.996 1.00 1.00 O ATOM 1311 CB ALA X 79 84.919 -5.317 4.307 1.00 1.00 C ATOM 0 H ALA X 79 84.967 -7.500 5.396 1.00 1.00 H new ATOM 0 HA ALA X 79 85.643 -6.684 2.810 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.055 -4.435 3.681 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.889 -5.664 4.227 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.136 -5.062 5.344 1.00 1.00 H new ATOM 1317 N PHE X 80 87.993 -6.262 5.014 1.00 1.00 N ATOM 1318 CA PHE X 80 89.378 -5.852 5.190 1.00 1.00 C ATOM 1319 C PHE X 80 90.258 -6.416 4.075 1.00 1.00 C ATOM 1320 O PHE X 80 91.030 -5.688 3.452 1.00 1.00 O ATOM 1321 CB PHE X 80 89.894 -6.355 6.542 1.00 1.00 C ATOM 1322 CG PHE X 80 91.297 -5.843 6.769 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.381 -6.450 6.123 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.511 -4.757 7.626 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.679 -5.970 6.333 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.810 -4.277 7.836 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.893 -4.884 7.190 1.00 1.00 C ATOM 0 H PHE X 80 87.607 -6.802 5.788 1.00 1.00 H new ATOM 0 HA PHE X 80 89.422 -4.763 5.154 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.238 -6.015 7.343 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.885 -7.445 6.564 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.216 -7.289 5.463 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.675 -4.290 8.125 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.515 -6.437 5.834 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.976 -3.439 8.496 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.895 -4.514 7.353 1.00 1.00 H new ATOM 1337 N SER X 81 90.135 -7.718 3.829 1.00 1.00 N ATOM 1338 CA SER X 81 90.929 -8.372 2.784 1.00 1.00 C ATOM 1339 C SER X 81 90.585 -7.790 1.414 1.00 1.00 C ATOM 1340 O SER X 81 91.468 -7.475 0.602 1.00 1.00 O ATOM 1341 CB SER X 81 90.651 -9.875 2.790 1.00 1.00 C ATOM 1342 OG SER X 81 91.478 -10.508 1.821 1.00 1.00 O ATOM 0 H SER X 81 89.501 -8.339 4.332 1.00 1.00 H new ATOM 0 HA SER X 81 91.986 -8.198 2.985 1.00 1.00 H new ATOM 0 HB2 SER X 81 90.847 -10.289 3.779 1.00 1.00 H new ATOM 0 HB3 SER X 81 89.601 -10.063 2.568 1.00 1.00 H new ATOM 0 HG SER X 81 91.304 -11.472 1.822 1.00 1.00 H new ATOM 1348 N TYR X 82 89.288 -7.623 1.178 1.00 1.00 N ATOM 1349 CA TYR X 82 88.824 -7.057 -0.078 1.00 1.00 C ATOM 1350 C TYR X 82 89.473 -5.694 -0.296 1.00 1.00 C ATOM 1351 O TYR X 82 89.879 -5.343 -1.413 1.00 1.00 O ATOM 1352 CB TYR X 82 87.301 -6.922 -0.044 1.00 1.00 C ATOM 1353 CG TYR X 82 86.866 -5.870 -1.030 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.260 -5.971 -2.370 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.078 -4.790 -0.612 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.867 -4.994 -3.292 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.685 -3.812 -1.534 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.080 -3.914 -2.873 1.00 1.00 C ATOM 1359 OH TYR X 82 85.690 -2.950 -3.783 1.00 1.00 O ATOM 0 H TYR X 82 88.548 -7.870 1.835 1.00 1.00 H new ATOM 0 HA TYR X 82 89.102 -7.714 -0.902 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.835 -7.877 -0.287 1.00 1.00 H new ATOM 0 HB3 TYR X 82 86.972 -6.653 0.960 1.00 1.00 H new ATOM 0 HD1 TYR X 82 87.868 -6.804 -2.692 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.774 -4.712 0.421 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.170 -5.073 -4.326 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.077 -2.979 -1.212 1.00 1.00 H new ATOM 0 HH TYR X 82 85.148 -2.272 -3.329 1.00 1.00 H new ATOM 1369 N TRP X 83 89.579 -4.934 0.781 1.00 1.00 N ATOM 1370 CA TRP X 83 90.187 -3.620 0.700 1.00 1.00 C ATOM 1371 C TRP X 83 91.659 -3.730 0.315 1.00 1.00 C ATOM 1372 O TRP X 83 92.204 -2.842 -0.334 1.00 1.00 O ATOM 1373 CB TRP X 83 90.057 -2.884 2.028 1.00 1.00 C ATOM 1374 CG TRP X 83 90.830 -1.608 1.962 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.820 -0.747 0.918 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.711 -1.024 2.964 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.639 0.327 1.216 1.00 1.00 N ATOM 1378 CE2 TRP X 83 92.212 0.201 2.467 1.00 1.00 C ATOM 1379 CE3 TRP X 83 92.122 -1.436 4.245 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 93.087 0.992 3.213 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 93.003 -0.644 4.999 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.485 0.568 4.483 1.00 1.00 C ATOM 0 H TRP X 83 89.256 -5.201 1.711 1.00 1.00 H new ATOM 0 HA TRP X 83 89.662 -3.055 -0.070 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.008 -2.677 2.241 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.430 -3.507 2.841 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.263 -0.877 0.002 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.800 1.115 0.589 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.757 -2.368 4.651 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.454 1.925 2.811 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.311 -0.970 5.981 1.00 1.00 H new ATOM 0 HH2 TRP X 83 94.163 1.173 5.067 1.00 1.00 H new ATOM 1393 N ASN X 84 92.302 -4.813 0.729 1.00 1.00 N ATOM 1394 CA ASN X 84 93.716 -4.996 0.428 1.00 1.00 C ATOM 1395 C ASN X 84 93.945 -4.931 -1.073 1.00 1.00 C ATOM 1396 O ASN X 84 94.872 -4.267 -1.544 1.00 1.00 O ATOM 1397 CB ASN X 84 94.179 -6.360 0.931 1.00 1.00 C ATOM 1398 CG ASN X 84 95.652 -6.306 1.314 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.366 -5.379 0.931 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.152 -7.252 2.062 1.00 1.00 N ATOM 0 H ASN X 84 91.876 -5.568 1.266 1.00 1.00 H new ATOM 0 HA ASN X 84 94.280 -4.204 0.921 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.582 -6.660 1.792 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.024 -7.113 0.158 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.136 -7.224 2.330 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.559 -8.019 2.378 1.00 1.00 H new ATOM 1407 N LEU X 85 93.091 -5.614 -1.830 1.00 1.00 N ATOM 1408 CA LEU X 85 93.231 -5.601 -3.280 1.00 1.00 C ATOM 1409 C LEU X 85 93.038 -4.183 -3.810 1.00 1.00 C ATOM 1410 O LEU X 85 93.735 -3.756 -4.735 1.00 1.00 O ATOM 1411 CB LEU X 85 92.226 -6.553 -3.935 1.00 1.00 C ATOM 1412 CG LEU X 85 92.747 -7.992 -3.866 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.976 -8.168 -4.768 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.133 -8.314 -2.421 1.00 1.00 C ATOM 0 H LEU X 85 92.314 -6.170 -1.474 1.00 1.00 H new ATOM 0 HA LEU X 85 94.235 -5.942 -3.532 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.263 -6.482 -3.430 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.064 -6.265 -4.974 1.00 1.00 H new ATOM 0 HG LEU X 85 91.963 -8.667 -4.209 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.330 -9.197 -4.704 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.706 -7.941 -5.799 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.766 -7.492 -4.442 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.505 -9.337 -2.363 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.911 -7.626 -2.090 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.259 -8.209 -1.779 1.00 1.00 H new ATOM 1426 N ILE X 86 92.097 -3.450 -3.216 1.00 1.00 N ATOM 1427 CA ILE X 86 91.840 -2.080 -3.646 1.00 1.00 C ATOM 1428 C ILE X 86 93.068 -1.195 -3.425 1.00 1.00 C ATOM 1429 O ILE X 86 93.409 -0.377 -4.278 1.00 1.00 O ATOM 1430 CB ILE X 86 90.679 -1.514 -2.858 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.395 -2.243 -3.225 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.520 -0.031 -3.173 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.291 -1.845 -2.249 1.00 1.00 C ATOM 0 H ILE X 86 91.510 -3.776 -2.449 1.00 1.00 H new ATOM 0 HA ILE X 86 91.605 -2.095 -4.710 1.00 1.00 H new ATOM 0 HB ILE X 86 90.878 -1.645 -1.794 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.101 -1.995 -4.245 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.553 -3.321 -3.193 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.683 0.374 -2.604 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.433 0.499 -2.902 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.330 0.096 -4.239 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.370 -2.366 -2.510 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.587 -2.116 -1.235 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.127 -0.769 -2.304 1.00 1.00 H new ATOM 1445 N LYS X 87 93.722 -1.346 -2.277 1.00 1.00 N ATOM 1446 CA LYS X 87 94.894 -0.532 -1.976 1.00 1.00 C ATOM 1447 C LYS X 87 95.917 -0.670 -3.085 1.00 1.00 C ATOM 1448 O LYS X 87 96.516 0.313 -3.518 1.00 1.00 O ATOM 1449 CB LYS X 87 95.517 -0.987 -0.658 1.00 1.00 C ATOM 1450 CG LYS X 87 94.562 -0.653 0.480 1.00 1.00 C ATOM 1451 CD LYS X 87 95.129 -1.166 1.808 1.00 1.00 C ATOM 1452 CE LYS X 87 96.168 -0.184 2.354 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.545 -0.585 3.738 1.00 1.00 N ATOM 0 H LYS X 87 93.465 -2.014 -1.550 1.00 1.00 H new ATOM 0 HA LYS X 87 94.586 0.510 -1.893 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.713 -2.059 -0.684 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.476 -0.492 -0.503 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.409 0.425 0.533 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.588 -1.104 0.292 1.00 1.00 H new ATOM 0 HD2 LYS X 87 94.323 -1.293 2.531 1.00 1.00 H new ATOM 0 HD3 LYS X 87 95.585 -2.145 1.663 1.00 1.00 H new ATOM 0 HE2 LYS X 87 97.049 -0.176 1.713 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.764 0.828 2.354 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 97.397 -0.065 4.030 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.764 -0.363 4.388 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.737 -1.607 3.763 1.00 1.00 H new ATOM 1467 N GLU X 88 96.101 -1.892 -3.546 1.00 1.00 N ATOM 1468 CA GLU X 88 97.044 -2.150 -4.622 1.00 1.00 C ATOM 1469 C GLU X 88 96.559 -1.527 -5.927 1.00 1.00 C ATOM 1470 O GLU X 88 97.363 -1.200 -6.801 1.00 1.00 O ATOM 1471 CB GLU X 88 97.248 -3.655 -4.805 1.00 1.00 C ATOM 1472 CG GLU X 88 98.091 -4.200 -3.651 1.00 1.00 C ATOM 1473 CD GLU X 88 98.304 -5.700 -3.822 1.00 1.00 C ATOM 1474 OE1 GLU X 88 97.878 -6.229 -4.835 1.00 1.00 O ATOM 1475 OE2 GLU X 88 98.901 -6.296 -2.940 1.00 1.00 O ATOM 0 H GLU X 88 95.615 -2.718 -3.197 1.00 1.00 H new ATOM 0 HA GLU X 88 97.997 -1.695 -4.353 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.284 -4.162 -4.836 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.743 -3.853 -5.756 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.053 -3.689 -3.620 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.594 -4.001 -2.701 1.00 1.00 H new ATOM 1482 N LEU X 89 95.243 -1.376 -6.068 1.00 1.00 N ATOM 1483 CA LEU X 89 94.693 -0.799 -7.291 1.00 1.00 C ATOM 1484 C LEU X 89 94.901 0.711 -7.353 1.00 1.00 C ATOM 1485 O LEU X 89 95.383 1.241 -8.355 1.00 1.00 O ATOM 1486 CB LEU X 89 93.193 -1.117 -7.376 1.00 1.00 C ATOM 1487 CG LEU X 89 92.557 -0.392 -8.574 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.320 -0.732 -9.856 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.095 -0.831 -8.721 1.00 1.00 C ATOM 0 H LEU X 89 94.551 -1.639 -5.366 1.00 1.00 H new ATOM 0 HA LEU X 89 95.221 -1.240 -8.136 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.048 -2.193 -7.475 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.698 -0.813 -6.454 1.00 1.00 H new ATOM 0 HG LEU X 89 92.602 0.684 -8.404 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.863 -0.214 -10.699 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.358 -0.416 -9.756 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.283 -1.808 -10.027 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.644 -0.317 -9.570 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.053 -1.908 -8.885 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.547 -0.581 -7.813 1.00 1.00 H new ATOM 1501 N ILE X 90 94.515 1.398 -6.287 1.00 1.00 N ATOM 1502 CA ILE X 90 94.637 2.849 -6.230 1.00 1.00 C ATOM 1503 C ILE X 90 96.093 3.270 -6.112 1.00 1.00 C ATOM 1504 O ILE X 90 96.530 4.236 -6.737 1.00 1.00 O ATOM 1505 CB ILE X 90 93.834 3.391 -5.043 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.390 2.909 -5.149 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.823 4.922 -5.073 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.750 2.876 -3.769 1.00 1.00 C ATOM 0 H ILE X 90 94.115 0.975 -5.450 1.00 1.00 H new ATOM 0 HA ILE X 90 94.239 3.265 -7.156 1.00 1.00 H new ATOM 0 HB ILE X 90 94.293 3.038 -4.120 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.824 3.570 -5.806 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.361 1.915 -5.596 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.250 5.298 -4.226 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.846 5.294 -5.014 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.366 5.264 -6.001 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.720 2.531 -3.854 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.308 2.196 -3.125 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.763 3.877 -3.338 1.00 1.00 H new ATOM 1520 N ASP X 91 96.837 2.546 -5.287 1.00 1.00 N ATOM 1521 CA ASP X 91 98.246 2.859 -5.063 1.00 1.00 C ATOM 1522 C ASP X 91 98.978 3.005 -6.392 1.00 1.00 C ATOM 1523 O ASP X 91 99.752 3.943 -6.580 1.00 1.00 O ATOM 1524 CB ASP X 91 98.908 1.748 -4.242 1.00 1.00 C ATOM 1525 CG ASP X 91 98.592 1.917 -2.754 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.108 2.976 -2.388 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.838 0.984 -2.008 1.00 1.00 O ATOM 0 H ASP X 91 96.493 1.741 -4.763 1.00 1.00 H new ATOM 0 HA ASP X 91 98.304 3.801 -4.517 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.556 0.775 -4.586 1.00 1.00 H new ATOM 0 HB3 ASP X 91 99.987 1.769 -4.395 1.00 1.00 H new ATOM 1532 N LYS X 92 98.723 2.087 -7.315 1.00 1.00 N ATOM 1533 CA LYS X 92 99.364 2.148 -8.623 1.00 1.00 C ATOM 1534 C LYS X 92 98.974 3.438 -9.336 1.00 1.00 C ATOM 1535 O LYS X 92 99.808 4.088 -9.965 1.00 1.00 O ATOM 1536 CB LYS X 92 98.940 0.947 -9.470 1.00 1.00 C ATOM 1537 CG LYS X 92 99.573 -0.326 -8.906 1.00 1.00 C ATOM 1538 CD LYS X 92 99.097 -1.534 -9.716 1.00 1.00 C ATOM 1539 CE LYS X 92 99.602 -2.823 -9.064 1.00 1.00 C ATOM 1540 NZ LYS X 92 101.081 -2.918 -9.226 1.00 1.00 N ATOM 0 H LYS X 92 98.086 1.301 -7.186 1.00 1.00 H new ATOM 0 HA LYS X 92 100.445 2.127 -8.485 1.00 1.00 H new ATOM 0 HB2 LYS X 92 97.854 0.855 -9.472 1.00 1.00 H new ATOM 0 HB3 LYS X 92 99.249 1.092 -10.505 1.00 1.00 H new ATOM 0 HG2 LYS X 92 100.660 -0.253 -8.946 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.300 -0.447 -7.858 1.00 1.00 H new ATOM 0 HD2 LYS X 92 98.008 -1.543 -9.768 1.00 1.00 H new ATOM 0 HD3 LYS X 92 99.464 -1.465 -10.740 1.00 1.00 H new ATOM 0 HE2 LYS X 92 99.340 -2.834 -8.006 1.00 1.00 H new ATOM 0 HE3 LYS X 92 99.120 -3.687 -9.521 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 101.402 -3.864 -8.937 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 101.332 -2.756 -10.222 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 101.542 -2.200 -8.632 1.00 1.00 H new ATOM 1554 N LYS X 93 97.701 3.799 -9.234 1.00 1.00 N ATOM 1555 CA LYS X 93 97.205 5.017 -9.875 1.00 1.00 C ATOM 1556 C LYS X 93 97.870 6.251 -9.275 1.00 1.00 C ATOM 1557 O LYS X 93 98.214 7.191 -9.990 1.00 1.00 O ATOM 1558 CB LYS X 93 95.686 5.132 -9.712 1.00 1.00 C ATOM 1559 CG LYS X 93 95.009 3.964 -10.432 1.00 1.00 C ATOM 1560 CD LYS X 93 93.493 4.061 -10.251 1.00 1.00 C ATOM 1561 CE LYS X 93 92.819 2.893 -10.971 1.00 1.00 C ATOM 1562 NZ LYS X 93 91.342 2.995 -10.811 1.00 1.00 N ATOM 0 H LYS X 93 96.996 3.273 -8.718 1.00 1.00 H new ATOM 0 HA LYS X 93 97.450 4.958 -10.936 1.00 1.00 H new ATOM 0 HB2 LYS X 93 95.421 5.125 -8.655 1.00 1.00 H new ATOM 0 HB3 LYS X 93 95.336 6.079 -10.122 1.00 1.00 H new ATOM 0 HG2 LYS X 93 95.261 3.982 -11.492 1.00 1.00 H new ATOM 0 HG3 LYS X 93 95.373 3.017 -10.034 1.00 1.00 H new ATOM 0 HD2 LYS X 93 93.241 4.043 -9.191 1.00 1.00 H new ATOM 0 HD3 LYS X 93 93.128 5.008 -10.650 1.00 1.00 H new ATOM 0 HE2 LYS X 93 93.082 2.904 -12.029 1.00 1.00 H new ATOM 0 HE3 LYS X 93 93.175 1.947 -10.563 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 90.884 2.200 -11.301 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 91.099 2.965 -9.800 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 91.010 3.892 -11.220 1.00 1.00 H new ATOM 1576 N GLU X 94 98.041 6.242 -7.958 1.00 1.00 N ATOM 1577 CA GLU X 94 98.658 7.369 -7.270 1.00 1.00 C ATOM 1578 C GLU X 94 99.889 7.852 -8.032 1.00 1.00 C ATOM 1579 O GLU X 94 100.363 8.968 -7.817 1.00 1.00 O ATOM 1580 CB GLU X 94 99.058 6.954 -5.851 1.00 1.00 C ATOM 1581 CG GLU X 94 99.534 8.178 -5.066 1.00 1.00 C ATOM 1582 CD GLU X 94 99.839 7.787 -3.624 1.00 1.00 C ATOM 1583 OE1 GLU X 94 99.388 6.732 -3.209 1.00 1.00 O ATOM 1584 OE2 GLU X 94 100.516 8.551 -2.955 1.00 1.00 O ATOM 0 H GLU X 94 97.763 5.472 -7.349 1.00 1.00 H new ATOM 0 HA GLU X 94 97.936 8.184 -7.220 1.00 1.00 H new ATOM 0 HB2 GLU X 94 98.210 6.493 -5.345 1.00 1.00 H new ATOM 0 HB3 GLU X 94 99.850 6.206 -5.891 1.00 1.00 H new ATOM 0 HG2 GLU X 94 100.425 8.596 -5.534 1.00 1.00 H new ATOM 0 HG3 GLU X 94 98.769 8.954 -5.087 1.00 1.00 H new ATOM 1591 N VAL X 95 100.396 7.008 -8.929 1.00 1.00 N ATOM 1592 CA VAL X 95 101.571 7.364 -9.720 1.00 1.00 C ATOM 1593 C VAL X 95 101.232 7.348 -11.205 1.00 1.00 C ATOM 1594 O VAL X 95 100.671 6.378 -11.715 1.00 1.00 O ATOM 1595 CB VAL X 95 102.706 6.377 -9.442 1.00 1.00 C ATOM 1596 CG1 VAL X 95 103.840 6.605 -10.443 1.00 1.00 C ATOM 1597 CG2 VAL X 95 103.231 6.589 -8.020 1.00 1.00 C ATOM 0 H VAL X 95 100.016 6.082 -9.125 1.00 1.00 H new ATOM 0 HA VAL X 95 101.889 8.368 -9.439 1.00 1.00 H new ATOM 0 HB VAL X 95 102.332 5.358 -9.544 1.00 1.00 H new ATOM 0 HG11 VAL X 95 104.648 5.901 -10.244 1.00 1.00 H new ATOM 0 HG12 VAL X 95 103.467 6.453 -11.456 1.00 1.00 H new ATOM 0 HG13 VAL X 95 104.214 7.624 -10.344 1.00 1.00 H new ATOM 0 HG21 VAL X 95 104.040 5.886 -7.822 1.00 1.00 H new ATOM 0 HG22 VAL X 95 103.603 7.608 -7.918 1.00 1.00 H new ATOM 0 HG23 VAL X 95 102.424 6.424 -7.306 1.00 1.00 H new ATOM 1607 N ASN X 96 101.575 8.430 -11.895 1.00 1.00 N ATOM 1608 CA ASN X 96 101.301 8.532 -13.324 1.00 1.00 C ATOM 1609 C ASN X 96 99.823 8.282 -13.607 1.00 1.00 C ATOM 1610 O ASN X 96 99.456 7.266 -14.197 1.00 1.00 O ATOM 1611 CB ASN X 96 102.148 7.516 -14.092 1.00 1.00 C ATOM 1612 CG ASN X 96 102.210 7.897 -15.568 1.00 1.00 C ATOM 1613 OD1 ASN X 96 101.338 8.738 -16.052 1.00 1.00 O flip ATOM 1614 ND2 ASN X 96 103.078 7.416 -16.296 1.00 1.00 N flip ATOM 0 H ASN X 96 102.040 9.244 -11.492 1.00 1.00 H new ATOM 0 HA ASN X 96 101.556 9.540 -13.652 1.00 1.00 H new ATOM 0 HB2 ASN X 96 103.154 7.480 -13.675 1.00 1.00 H new ATOM 0 HB3 ASN X 96 101.722 6.519 -13.983 1.00 1.00 H new ATOM 0 HD21 ASN X 96 103.758 6.759 -15.913 1.00 1.00 H new ATOM 0 HD22 ASN X 96 103.118 7.675 -17.282 1.00 1.00 H new ATOM 1621 N PRO X 97 98.977 9.187 -13.197 1.00 1.00 N ATOM 1622 CA PRO X 97 97.503 9.073 -13.407 1.00 1.00 C ATOM 1623 C PRO X 97 97.148 8.811 -14.870 1.00 1.00 C ATOM 1624 O PRO X 97 96.262 8.012 -15.169 1.00 1.00 O ATOM 1625 CB PRO X 97 96.962 10.433 -12.956 1.00 1.00 C ATOM 1626 CG PRO X 97 97.987 10.975 -12.018 1.00 1.00 C ATOM 1627 CD PRO X 97 99.332 10.422 -12.482 1.00 1.00 C ATOM 0 HA PRO X 97 97.078 8.235 -12.855 1.00 1.00 H new ATOM 0 HB2 PRO X 97 96.816 11.099 -13.806 1.00 1.00 H new ATOM 0 HB3 PRO X 97 95.995 10.328 -12.464 1.00 1.00 H new ATOM 0 HG2 PRO X 97 97.989 12.065 -12.033 1.00 1.00 H new ATOM 0 HG3 PRO X 97 97.775 10.671 -10.993 1.00 1.00 H new ATOM 0 HD2 PRO X 97 99.851 11.126 -13.133 1.00 1.00 H new ATOM 0 HD3 PRO X 97 99.993 10.220 -11.639 1.00 1.00 H new ATOM 1635 N GLN X 98 97.848 9.488 -15.773 1.00 1.00 N ATOM 1636 CA GLN X 98 97.600 9.321 -17.200 1.00 1.00 C ATOM 1637 C GLN X 98 98.012 7.925 -17.650 1.00 1.00 C ATOM 1638 O GLN X 98 99.060 7.419 -17.249 1.00 1.00 O ATOM 1639 CB GLN X 98 98.382 10.369 -17.994 1.00 1.00 C ATOM 1640 CG GLN X 98 98.012 10.275 -19.477 1.00 1.00 C ATOM 1641 CD GLN X 98 98.792 11.312 -20.276 1.00 1.00 C ATOM 1642 OE1 GLN X 98 99.985 11.509 -20.042 1.00 1.00 O ATOM 1643 NE2 GLN X 98 98.188 11.990 -21.214 1.00 1.00 N ATOM 0 H GLN X 98 98.587 10.153 -15.545 1.00 1.00 H new ATOM 0 HA GLN X 98 96.534 9.452 -17.384 1.00 1.00 H new ATOM 0 HB2 GLN X 98 98.159 11.367 -17.616 1.00 1.00 H new ATOM 0 HB3 GLN X 98 99.453 10.212 -17.866 1.00 1.00 H new ATOM 0 HG2 GLN X 98 98.231 9.275 -19.852 1.00 1.00 H new ATOM 0 HG3 GLN X 98 96.941 10.436 -19.604 1.00 1.00 H new ATOM 0 HE21 GLN X 98 97.200 11.826 -21.406 1.00 1.00 H new ATOM 0 HE22 GLN X 98 98.704 12.684 -21.754 1.00 1.00 H new ATOM 1652 N VAL X 99 97.180 7.309 -18.487 1.00 1.00 N ATOM 1653 CA VAL X 99 97.464 5.971 -18.994 1.00 1.00 C ATOM 1654 C VAL X 99 97.481 5.968 -20.518 1.00 1.00 C ATOM 1655 O VAL X 99 96.561 6.474 -21.159 1.00 1.00 O ATOM 1656 CB VAL X 99 96.403 4.990 -18.492 1.00 1.00 C ATOM 1657 CG1 VAL X 99 96.527 3.667 -19.252 1.00 1.00 C ATOM 1658 CG2 VAL X 99 96.613 4.738 -16.996 1.00 1.00 C ATOM 0 H VAL X 99 96.308 7.714 -18.827 1.00 1.00 H new ATOM 0 HA VAL X 99 98.445 5.665 -18.631 1.00 1.00 H new ATOM 0 HB VAL X 99 95.411 5.411 -18.657 1.00 1.00 H new ATOM 0 HG11 VAL X 99 95.770 2.969 -18.893 1.00 1.00 H new ATOM 0 HG12 VAL X 99 96.381 3.844 -20.318 1.00 1.00 H new ATOM 0 HG13 VAL X 99 97.518 3.244 -19.087 1.00 1.00 H new ATOM 0 HG21 VAL X 99 95.858 4.039 -16.635 1.00 1.00 H new ATOM 0 HG22 VAL X 99 97.605 4.316 -16.834 1.00 1.00 H new ATOM 0 HG23 VAL X 99 96.525 5.679 -16.453 1.00 1.00 H new ATOM 1668 N MET X 100 98.534 5.394 -21.092 1.00 1.00 N ATOM 1669 CA MET X 100 98.659 5.330 -22.543 1.00 1.00 C ATOM 1670 C MET X 100 98.344 6.683 -23.171 1.00 1.00 C ATOM 1671 O MET X 100 97.779 6.695 -24.253 1.00 1.00 O ATOM 1672 CB MET X 100 97.704 4.271 -23.097 1.00 1.00 C ATOM 1673 CG MET X 100 98.190 2.880 -22.689 1.00 1.00 C ATOM 1674 SD MET X 100 96.977 1.641 -23.210 1.00 1.00 S ATOM 1675 CE MET X 100 97.148 1.883 -24.995 1.00 1.00 C ATOM 1676 OXT MET X 100 98.674 7.688 -22.563 1.00 1.00 O ATOM 0 H MET X 100 99.307 4.970 -20.579 1.00 1.00 H new ATOM 0 HA MET X 100 99.686 5.062 -22.791 1.00 1.00 H new ATOM 0 HB2 MET X 100 96.696 4.441 -22.718 1.00 1.00 H new ATOM 0 HB3 MET X 100 97.653 4.345 -24.183 1.00 1.00 H new ATOM 0 HG2 MET X 100 99.157 2.672 -23.146 1.00 1.00 H new ATOM 0 HG3 MET X 100 98.332 2.835 -21.609 1.00 1.00 H new ATOM 0 HE1 MET X 100 96.854 0.971 -25.516 1.00 1.00 H new ATOM 0 HE2 MET X 100 96.507 2.705 -25.314 1.00 1.00 H new ATOM 0 HE3 MET X 100 98.185 2.118 -25.233 1.00 1.00 H new TER 1686 MET X 100