USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot -150:sc= 0.963 USER MOD Set 1.2: A 107 SER OG : rot 52:sc= 1.72 USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 109 CYS SG : rot 120:sc= -0.815 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.832 K(o=1.7,f=0.053) USER MOD Set 3.2: A 35 THR OG1 : rot 26:sc= 0.821 USER MOD Single : A 4 MET CE :methyl 139:sc=-0.00761 (180deg=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.19) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00626 K(o=-0.0063,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.739 K(o=0.74,f=-0.39) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 41 MET CE :methyl 157:sc= -0.234 (180deg=-1.13) USER MOD Single : A 47 THR OG1 : rot -86:sc= 1.59 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -100:sc= 0.627 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -162:sc= 1.21 USER MOD Single : A 68 SER OG : rot -71:sc= 0.351 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 72 MET CE :methyl 176:sc= 0 (180deg=-0.018) USER MOD Single : A 74 THR OG1 : rot -150:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.94 K(o=0.94,f=-1.9!) USER MOD Single : A 81 HIS : no HD1:sc= 1.69 K(o=1.7,f=-9.5!) USER MOD Single : A 83 HIS : no HD1:sc=-0.00309 X(o=-0.0031,f=-0.0031) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.205 K(o=0.2,f=-7.9!) USER MOD Single : A 89 HIS : no HE2:sc= -0.199 K(o=-0.2,f=-1.2) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 164:sc= 1.28 USER MOD Single : A 96 THR OG1 : rot -20:sc= 0.443 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 111 SER OG : rot 93:sc= 1.25 USER MOD Single : A 114 SER OG : rot -57:sc= 1.31 USER MOD Single : A 115 MET CE :methyl 169:sc=-0.00405 (180deg=-0.133) USER MOD Single : A 117 SER OG : rot -39:sc= 0.911 USER MOD Single : A 118 SER OG : rot -45:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 1.666 -6.113 -18.961 1.00 0.00 N ATOM 42 CA MET A 4 1.543 -5.767 -17.556 1.00 0.00 C ATOM 43 C MET A 4 1.522 -4.271 -17.405 1.00 0.00 C ATOM 44 O MET A 4 0.659 -3.730 -16.718 1.00 0.00 O ATOM 45 CB MET A 4 2.696 -6.301 -16.722 1.00 0.00 C ATOM 46 CG MET A 4 2.530 -5.928 -15.259 1.00 0.00 C ATOM 47 SD MET A 4 3.083 -4.263 -14.813 1.00 0.00 S ATOM 48 CE MET A 4 4.867 -4.313 -14.923 1.00 0.00 C ATOM 0 HA MET A 4 0.617 -6.219 -17.201 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.749 -7.385 -16.821 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.637 -5.901 -17.098 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.477 -6.026 -14.994 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.079 -6.649 -14.653 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.229 -3.393 -15.382 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.291 -4.411 -13.923 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.170 -5.165 -15.531 1.00 0.00 H new ATOM 58 N GLN A 5 2.502 -3.634 -18.041 1.00 0.00 N ATOM 59 CA GLN A 5 2.695 -2.198 -18.018 1.00 0.00 C ATOM 60 C GLN A 5 1.516 -1.494 -18.660 1.00 0.00 C ATOM 61 O GLN A 5 1.130 -0.418 -18.206 1.00 0.00 O ATOM 62 CB GLN A 5 3.994 -1.841 -18.742 1.00 0.00 C ATOM 63 CG GLN A 5 5.250 -2.285 -18.013 1.00 0.00 C ATOM 64 CD GLN A 5 6.524 -2.017 -18.797 1.00 0.00 C ATOM 65 OE1 GLN A 5 6.578 -2.162 -20.025 1.00 0.00 O ATOM 66 NE2 GLN A 5 7.574 -1.622 -18.086 1.00 0.00 N ATOM 0 H GLN A 5 3.201 -4.123 -18.601 1.00 0.00 H new ATOM 0 HA GLN A 5 2.765 -1.865 -16.982 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.982 -2.295 -19.733 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.033 -0.761 -18.886 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.306 -1.771 -17.054 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.180 -3.352 -17.799 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.494 -1.513 -17.075 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.461 -1.428 -18.551 1.00 0.00 H new ATOM 75 N LYS A 6 0.967 -2.080 -19.723 1.00 0.00 N ATOM 76 CA LYS A 6 -0.198 -1.520 -20.387 1.00 0.00 C ATOM 77 C LYS A 6 -1.421 -1.545 -19.474 1.00 0.00 C ATOM 78 O LYS A 6 -2.118 -0.534 -19.357 1.00 0.00 O ATOM 79 CB LYS A 6 -0.485 -2.304 -21.667 1.00 0.00 C ATOM 80 CG LYS A 6 0.532 -2.108 -22.787 1.00 0.00 C ATOM 81 CD LYS A 6 0.171 -2.961 -23.994 1.00 0.00 C ATOM 82 CE LYS A 6 1.175 -2.811 -25.126 1.00 0.00 C ATOM 83 NZ LYS A 6 0.819 -3.668 -26.294 1.00 0.00 N ATOM 0 H LYS A 6 1.315 -2.944 -20.140 1.00 0.00 H new ATOM 0 HA LYS A 6 0.015 -0.480 -20.634 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.533 -3.365 -21.422 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.470 -2.018 -22.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.566 -1.057 -23.075 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.528 -2.374 -22.432 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.118 -4.008 -23.694 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.820 -2.681 -24.351 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.218 -1.768 -25.439 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.170 -3.077 -24.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.525 -3.540 -27.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.803 -4.666 -26.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.120 -3.397 -26.650 1.00 0.00 H new ATOM 97 N ARG A 7 -1.659 -2.685 -18.818 1.00 0.00 N ATOM 98 CA ARG A 7 -2.782 -2.831 -17.898 1.00 0.00 C ATOM 99 C ARG A 7 -2.616 -1.918 -16.701 1.00 0.00 C ATOM 100 O ARG A 7 -3.587 -1.306 -16.252 1.00 0.00 O ATOM 101 CB ARG A 7 -2.899 -4.265 -17.402 1.00 0.00 C ATOM 102 CG ARG A 7 -3.370 -5.283 -18.425 1.00 0.00 C ATOM 103 CD ARG A 7 -3.720 -6.583 -17.795 1.00 0.00 C ATOM 104 NE ARG A 7 -2.579 -7.175 -17.113 1.00 0.00 N ATOM 105 CZ ARG A 7 -1.633 -7.933 -17.701 1.00 0.00 C ATOM 106 NH1 ARG A 7 -1.697 -8.165 -18.994 1.00 0.00 N ATOM 107 NH2 ARG A 7 -0.636 -8.433 -16.989 1.00 0.00 N ATOM 0 H ARG A 7 -1.083 -3.522 -18.911 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.686 -2.561 -18.445 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.925 -4.580 -17.026 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.588 -4.282 -16.557 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.239 -4.891 -18.954 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.588 -5.439 -19.168 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.533 -6.436 -17.084 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.085 -7.271 -18.558 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.488 -7.003 -16.112 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.460 -7.772 -19.546 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.984 -8.738 -19.445 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.580 -8.245 -15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.076 -9.006 -17.441 1.00 0.00 H new ATOM 121 N LEU A 8 -1.384 -1.854 -16.204 1.00 0.00 N ATOM 122 CA LEU A 8 -0.994 -1.019 -15.090 1.00 0.00 C ATOM 123 C LEU A 8 -1.235 0.435 -15.390 1.00 0.00 C ATOM 124 O LEU A 8 -1.806 1.129 -14.556 1.00 0.00 O ATOM 125 CB LEU A 8 0.476 -1.234 -14.742 1.00 0.00 C ATOM 126 CG LEU A 8 0.990 -0.329 -13.627 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.195 -0.592 -12.356 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.466 -0.601 -13.425 1.00 0.00 C ATOM 0 H LEU A 8 -0.611 -2.402 -16.583 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.608 -1.305 -14.236 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.620 -2.273 -14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.078 -1.069 -15.636 1.00 0.00 H new ATOM 0 HG LEU A 8 0.862 0.721 -13.891 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.561 0.054 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.860 -0.384 -12.537 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.314 -1.635 -12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.848 0.039 -12.630 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.609 -1.646 -13.150 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.004 -0.392 -14.350 1.00 0.00 H new ATOM 140 N GLN A 9 -0.793 0.905 -16.552 1.00 0.00 N ATOM 141 CA GLN A 9 -1.008 2.297 -16.895 1.00 0.00 C ATOM 142 C GLN A 9 -2.489 2.604 -16.995 1.00 0.00 C ATOM 143 O GLN A 9 -2.891 3.680 -16.565 1.00 0.00 O ATOM 144 CB GLN A 9 -0.321 2.649 -18.209 1.00 0.00 C ATOM 145 CG GLN A 9 -0.379 4.128 -18.554 1.00 0.00 C ATOM 146 CD GLN A 9 0.383 4.977 -17.550 1.00 0.00 C ATOM 147 OE1 GLN A 9 1.525 4.668 -17.198 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.236 6.056 -17.088 1.00 0.00 N ATOM 0 H GLN A 9 -0.297 0.355 -17.253 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.573 2.903 -16.100 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.722 2.338 -18.157 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.784 2.079 -19.015 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.036 4.285 -19.550 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.419 4.452 -18.587 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.180 6.277 -17.404 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.233 6.665 -16.417 1.00 0.00 H new ATOM 157 N LYS A 10 -3.296 1.687 -17.535 1.00 0.00 N ATOM 158 CA LYS A 10 -4.735 1.922 -17.593 1.00 0.00 C ATOM 159 C LYS A 10 -5.321 2.051 -16.189 1.00 0.00 C ATOM 160 O LYS A 10 -6.185 2.900 -15.959 1.00 0.00 O ATOM 161 CB LYS A 10 -5.424 0.791 -18.351 1.00 0.00 C ATOM 162 CG LYS A 10 -5.149 0.777 -19.847 1.00 0.00 C ATOM 163 CD LYS A 10 -5.834 -0.405 -20.514 1.00 0.00 C ATOM 164 CE LYS A 10 -5.553 -0.439 -22.009 1.00 0.00 C ATOM 165 NZ LYS A 10 -6.205 -1.604 -22.667 1.00 0.00 N ATOM 0 H LYS A 10 -2.986 0.798 -17.928 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.908 2.859 -18.123 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.105 -0.161 -17.927 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.500 0.867 -18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.502 1.706 -20.294 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.074 0.726 -20.023 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.490 -1.332 -20.056 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.909 -0.347 -20.346 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.909 0.484 -22.467 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.477 -0.483 -22.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.991 -1.593 -23.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.846 -2.485 -22.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.234 -1.549 -22.530 1.00 0.00 H new ATOM 179 N GLU A 11 -4.854 1.197 -15.277 1.00 0.00 N ATOM 180 CA GLU A 11 -5.241 1.239 -13.874 1.00 0.00 C ATOM 181 C GLU A 11 -4.907 2.574 -13.241 1.00 0.00 C ATOM 182 O GLU A 11 -5.749 3.171 -12.570 1.00 0.00 O ATOM 183 CB GLU A 11 -4.545 0.141 -13.076 1.00 0.00 C ATOM 184 CG GLU A 11 -4.926 0.177 -11.613 1.00 0.00 C ATOM 185 CD GLU A 11 -4.250 -0.860 -10.774 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.494 -1.671 -11.261 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.519 -0.809 -9.600 1.00 0.00 O ATOM 0 H GLU A 11 -4.192 0.453 -15.497 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.320 1.087 -13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.804 -0.831 -13.495 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.465 0.252 -13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.689 1.163 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.005 0.049 -11.528 1.00 0.00 H new ATOM 194 N LEU A 12 -3.671 3.009 -13.448 1.00 0.00 N ATOM 195 CA LEU A 12 -3.160 4.257 -12.917 1.00 0.00 C ATOM 196 C LEU A 12 -3.932 5.437 -13.483 1.00 0.00 C ATOM 197 O LEU A 12 -4.177 6.391 -12.750 1.00 0.00 O ATOM 198 CB LEU A 12 -1.675 4.352 -13.258 1.00 0.00 C ATOM 199 CG LEU A 12 -0.769 3.339 -12.541 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.596 3.420 -13.177 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.668 3.640 -11.056 1.00 0.00 C ATOM 0 H LEU A 12 -2.987 2.492 -14.000 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.286 4.282 -11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.557 4.222 -14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.328 5.357 -13.019 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.189 2.338 -12.639 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.267 2.712 -12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.519 3.177 -14.237 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.991 4.430 -13.064 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.020 2.905 -10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.251 4.637 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.660 3.594 -10.607 1.00 0.00 H new ATOM 213 N LEU A 13 -4.315 5.384 -14.759 1.00 0.00 N ATOM 214 CA LEU A 13 -5.123 6.439 -15.355 1.00 0.00 C ATOM 215 C LEU A 13 -6.491 6.506 -14.692 1.00 0.00 C ATOM 216 O LEU A 13 -7.002 7.605 -14.474 1.00 0.00 O ATOM 217 CB LEU A 13 -5.276 6.198 -16.861 1.00 0.00 C ATOM 218 CG LEU A 13 -4.009 6.400 -17.703 1.00 0.00 C ATOM 219 CD1 LEU A 13 -4.259 5.904 -19.120 1.00 0.00 C ATOM 220 CD2 LEU A 13 -3.650 7.876 -17.705 1.00 0.00 C ATOM 0 H LEU A 13 -4.078 4.623 -15.395 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.618 7.392 -15.198 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.631 5.179 -17.012 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.051 6.865 -17.239 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.179 5.834 -17.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.360 6.047 -19.719 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.514 4.845 -19.095 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.083 6.465 -19.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.750 8.031 -18.301 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.472 8.450 -18.133 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.470 8.208 -16.683 1.00 0.00 H new ATOM 232 N ALA A 14 -7.080 5.348 -14.384 1.00 0.00 N ATOM 233 CA ALA A 14 -8.353 5.302 -13.674 1.00 0.00 C ATOM 234 C ALA A 14 -8.197 5.913 -12.284 1.00 0.00 C ATOM 235 O ALA A 14 -9.088 6.626 -11.824 1.00 0.00 O ATOM 236 CB ALA A 14 -8.864 3.874 -13.578 1.00 0.00 C ATOM 0 H ALA A 14 -6.694 4.433 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.086 5.884 -14.233 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.815 3.863 -13.045 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.006 3.470 -14.580 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.139 3.263 -13.040 1.00 0.00 H new ATOM 242 N LEU A 15 -7.072 5.616 -11.628 1.00 0.00 N ATOM 243 CA LEU A 15 -6.748 6.175 -10.325 1.00 0.00 C ATOM 244 C LEU A 15 -6.525 7.678 -10.405 1.00 0.00 C ATOM 245 O LEU A 15 -6.842 8.388 -9.457 1.00 0.00 O ATOM 246 CB LEU A 15 -5.508 5.475 -9.763 1.00 0.00 C ATOM 247 CG LEU A 15 -5.704 4.017 -9.342 1.00 0.00 C ATOM 248 CD1 LEU A 15 -4.361 3.380 -9.009 1.00 0.00 C ATOM 249 CD2 LEU A 15 -6.619 4.000 -8.130 1.00 0.00 C ATOM 0 H LEU A 15 -6.363 4.979 -11.991 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.592 6.007 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.719 5.514 -10.514 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.155 6.039 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.150 3.443 -10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.514 2.343 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.715 3.414 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.892 3.927 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.777 2.971 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.161 4.568 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.577 4.449 -8.391 1.00 0.00 H new ATOM 261 N GLN A 16 -5.960 8.178 -11.501 1.00 0.00 N ATOM 262 CA GLN A 16 -5.823 9.618 -11.666 1.00 0.00 C ATOM 263 C GLN A 16 -7.189 10.263 -11.850 1.00 0.00 C ATOM 264 O GLN A 16 -7.442 11.347 -11.323 1.00 0.00 O ATOM 265 CB GLN A 16 -4.933 9.969 -12.863 1.00 0.00 C ATOM 266 CG GLN A 16 -3.462 9.645 -12.686 1.00 0.00 C ATOM 267 CD GLN A 16 -2.648 9.957 -13.925 1.00 0.00 C ATOM 268 OE1 GLN A 16 -3.190 10.116 -15.021 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.333 10.052 -13.757 1.00 0.00 N ATOM 0 H GLN A 16 -5.597 7.619 -12.273 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.352 10.003 -10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.303 9.438 -13.740 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.032 11.035 -13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.067 10.212 -11.843 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.353 8.589 -12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.926 9.913 -12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.731 10.264 -14.553 1.00 0.00 H new ATOM 278 N ASN A 17 -8.064 9.606 -12.610 1.00 0.00 N ATOM 279 CA ASN A 17 -9.408 10.116 -12.828 1.00 0.00 C ATOM 280 C ASN A 17 -10.248 10.129 -11.556 1.00 0.00 C ATOM 281 O ASN A 17 -11.034 11.055 -11.350 1.00 0.00 O ATOM 282 CB ASN A 17 -10.096 9.299 -13.902 1.00 0.00 C ATOM 283 CG ASN A 17 -9.551 9.591 -15.271 1.00 0.00 C ATOM 284 OD1 ASN A 17 -8.943 10.643 -15.503 1.00 0.00 O ATOM 285 ND2 ASN A 17 -9.756 8.679 -16.186 1.00 0.00 N ATOM 0 H ASN A 17 -7.864 8.724 -13.081 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.313 11.152 -13.152 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.975 8.238 -13.683 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.166 9.508 -13.886 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.409 8.821 -17.135 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.263 7.826 -15.951 1.00 0.00 H new ATOM 292 N ASP A 18 -10.099 9.115 -10.708 1.00 0.00 N ATOM 293 CA ASP A 18 -10.844 9.097 -9.459 1.00 0.00 C ATOM 294 C ASP A 18 -10.137 8.305 -8.361 1.00 0.00 C ATOM 295 O ASP A 18 -10.471 7.139 -8.144 1.00 0.00 O ATOM 296 CB ASP A 18 -12.232 8.500 -9.702 1.00 0.00 C ATOM 297 CG ASP A 18 -13.152 8.579 -8.492 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.719 9.046 -7.466 1.00 0.00 O ATOM 299 OD2 ASP A 18 -14.283 8.169 -8.604 1.00 0.00 O ATOM 0 H ASP A 18 -9.485 8.315 -10.859 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.922 10.128 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.700 9.020 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.122 7.456 -9.997 1.00 0.00 H new ATOM 304 N PRO A 19 -9.165 8.899 -7.665 1.00 0.00 N ATOM 305 CA PRO A 19 -8.452 8.284 -6.572 1.00 0.00 C ATOM 306 C PRO A 19 -9.297 8.293 -5.306 1.00 0.00 C ATOM 307 O PRO A 19 -10.127 9.189 -5.143 1.00 0.00 O ATOM 308 CB PRO A 19 -7.236 9.201 -6.453 1.00 0.00 C ATOM 309 CG PRO A 19 -7.750 10.545 -6.911 1.00 0.00 C ATOM 310 CD PRO A 19 -8.781 10.277 -7.994 1.00 0.00 C ATOM 0 HA PRO A 19 -8.195 7.236 -6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.865 9.243 -5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.412 8.855 -7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.196 11.092 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.936 11.159 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.624 10.966 -7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.361 10.362 -8.996 1.00 0.00 H new ATOM 318 N PRO A 20 -9.123 7.333 -4.402 1.00 0.00 N ATOM 319 CA PRO A 20 -9.821 7.299 -3.146 1.00 0.00 C ATOM 320 C PRO A 20 -9.238 8.364 -2.213 1.00 0.00 C ATOM 321 O PRO A 20 -8.092 8.771 -2.416 1.00 0.00 O ATOM 322 CB PRO A 20 -9.550 5.864 -2.693 1.00 0.00 C ATOM 323 CG PRO A 20 -8.238 5.514 -3.335 1.00 0.00 C ATOM 324 CD PRO A 20 -8.207 6.227 -4.679 1.00 0.00 C ATOM 0 HA PRO A 20 -10.887 7.523 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.493 5.794 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.343 5.189 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.404 5.831 -2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.146 4.436 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.207 6.571 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.554 5.593 -5.495 1.00 0.00 H new ATOM 332 N PRO A 21 -9.998 8.825 -1.216 1.00 0.00 N ATOM 333 CA PRO A 21 -9.582 9.836 -0.270 1.00 0.00 C ATOM 334 C PRO A 21 -8.261 9.521 0.410 1.00 0.00 C ATOM 335 O PRO A 21 -8.093 8.461 1.015 1.00 0.00 O ATOM 336 CB PRO A 21 -10.749 9.793 0.724 1.00 0.00 C ATOM 337 CG PRO A 21 -11.921 9.336 -0.099 1.00 0.00 C ATOM 338 CD PRO A 21 -11.362 8.306 -1.055 1.00 0.00 C ATOM 0 HA PRO A 21 -9.396 10.807 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.547 9.105 1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.931 10.772 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.700 8.906 0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.371 10.169 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.379 7.299 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.909 8.271 -1.997 1.00 0.00 H new ATOM 346 N GLY A 22 -7.335 10.470 0.319 1.00 0.00 N ATOM 347 CA GLY A 22 -6.018 10.337 0.923 1.00 0.00 C ATOM 348 C GLY A 22 -4.978 9.671 0.021 1.00 0.00 C ATOM 349 O GLY A 22 -3.831 9.526 0.437 1.00 0.00 O ATOM 0 H GLY A 22 -7.478 11.351 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.658 11.327 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.109 9.758 1.842 1.00 0.00 H new ATOM 353 N MET A 23 -5.358 9.245 -1.189 1.00 0.00 N ATOM 354 CA MET A 23 -4.425 8.594 -2.114 1.00 0.00 C ATOM 355 C MET A 23 -4.004 9.409 -3.341 1.00 0.00 C ATOM 356 O MET A 23 -4.853 9.814 -4.137 1.00 0.00 O ATOM 357 CB MET A 23 -5.054 7.293 -2.601 1.00 0.00 C ATOM 358 CG MET A 23 -4.209 6.531 -3.605 1.00 0.00 C ATOM 359 SD MET A 23 -4.907 4.949 -4.104 1.00 0.00 S ATOM 360 CE MET A 23 -3.702 4.406 -5.308 1.00 0.00 C ATOM 0 H MET A 23 -6.307 9.340 -1.550 1.00 0.00 H new ATOM 0 HA MET A 23 -3.512 8.449 -1.537 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.244 6.650 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.021 7.517 -3.052 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.070 7.150 -4.491 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.221 6.361 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.999 3.436 -5.708 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.646 5.131 -6.120 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.725 4.319 -4.832 1.00 0.00 H new ATOM 370 N THR A 24 -2.698 9.652 -3.499 1.00 0.00 N ATOM 371 CA THR A 24 -2.171 10.363 -4.668 1.00 0.00 C ATOM 372 C THR A 24 -1.041 9.594 -5.363 1.00 0.00 C ATOM 373 O THR A 24 -0.120 9.086 -4.732 1.00 0.00 O ATOM 374 CB THR A 24 -1.666 11.770 -4.275 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.751 12.537 -3.738 1.00 0.00 O ATOM 376 CG2 THR A 24 -1.078 12.495 -5.477 1.00 0.00 C ATOM 0 H THR A 24 -1.985 9.365 -2.829 1.00 0.00 H new ATOM 0 HA THR A 24 -2.999 10.453 -5.371 1.00 0.00 H new ATOM 0 HB THR A 24 -0.884 11.656 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.429 13.428 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.730 13.482 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.240 11.922 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.842 12.601 -6.247 1.00 0.00 H new ATOM 384 N LEU A 25 -1.084 9.502 -6.686 1.00 0.00 N ATOM 385 CA LEU A 25 -0.025 8.778 -7.389 1.00 0.00 C ATOM 386 C LEU A 25 1.226 9.621 -7.626 1.00 0.00 C ATOM 387 O LEU A 25 1.148 10.836 -7.810 1.00 0.00 O ATOM 388 CB LEU A 25 -0.526 8.274 -8.742 1.00 0.00 C ATOM 389 CG LEU A 25 -1.680 7.268 -8.718 1.00 0.00 C ATOM 390 CD1 LEU A 25 -2.065 6.977 -10.156 1.00 0.00 C ATOM 391 CD2 LEU A 25 -1.246 6.006 -7.985 1.00 0.00 C ATOM 0 H LEU A 25 -1.811 9.902 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 25 0.245 7.946 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.839 9.136 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.313 7.817 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.544 7.668 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.887 6.261 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.377 7.901 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.208 6.559 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.070 5.292 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.392 5.563 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.965 6.258 -6.962 1.00 0.00 H new ATOM 403 N ASN A 26 2.375 8.949 -7.633 1.00 0.00 N ATOM 404 CA ASN A 26 3.678 9.560 -7.845 1.00 0.00 C ATOM 405 C ASN A 26 4.626 8.509 -8.442 1.00 0.00 C ATOM 406 O ASN A 26 4.241 7.358 -8.643 1.00 0.00 O ATOM 407 CB ASN A 26 4.172 10.125 -6.514 1.00 0.00 C ATOM 408 CG ASN A 26 5.113 11.293 -6.616 1.00 0.00 C ATOM 409 OD1 ASN A 26 5.884 11.399 -7.578 1.00 0.00 O ATOM 410 ND2 ASN A 26 5.066 12.170 -5.644 1.00 0.00 N ATOM 0 H ASN A 26 2.423 7.941 -7.488 1.00 0.00 H new ATOM 0 HA ASN A 26 3.628 10.387 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.307 10.428 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.669 9.327 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.682 12.983 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.413 12.040 -4.871 1.00 0.00 H new ATOM 542 N THR A 35 9.782 -1.148 -13.243 1.00 0.00 N ATOM 543 CA THR A 35 8.511 -0.480 -13.041 1.00 0.00 C ATOM 544 C THR A 35 8.003 -0.534 -11.617 1.00 0.00 C ATOM 545 O THR A 35 7.411 -1.522 -11.179 1.00 0.00 O ATOM 546 CB THR A 35 7.448 -1.071 -13.987 1.00 0.00 C ATOM 547 OG1 THR A 35 7.879 -0.855 -15.338 1.00 0.00 O ATOM 548 CG2 THR A 35 6.095 -0.417 -13.759 1.00 0.00 C ATOM 0 HA THR A 35 8.689 0.572 -13.266 1.00 0.00 H new ATOM 0 HB THR A 35 7.337 -2.137 -13.790 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.856 -0.785 -15.362 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.362 -0.851 -14.439 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.779 -0.584 -12.729 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.173 0.654 -13.945 1.00 0.00 H new ATOM 556 N GLN A 36 8.290 0.566 -10.930 1.00 0.00 N ATOM 557 CA GLN A 36 7.809 0.819 -9.582 1.00 0.00 C ATOM 558 C GLN A 36 7.060 2.151 -9.539 1.00 0.00 C ATOM 559 O GLN A 36 7.419 3.090 -10.251 1.00 0.00 O ATOM 560 CB GLN A 36 8.955 0.875 -8.566 1.00 0.00 C ATOM 561 CG GLN A 36 9.779 -0.383 -8.374 1.00 0.00 C ATOM 562 CD GLN A 36 10.846 -0.182 -7.315 1.00 0.00 C ATOM 563 OE1 GLN A 36 11.380 0.920 -7.169 1.00 0.00 O ATOM 564 NE2 GLN A 36 11.165 -1.230 -6.564 1.00 0.00 N ATOM 0 H GLN A 36 8.872 1.317 -11.302 1.00 0.00 H new ATOM 0 HA GLN A 36 7.147 -0.006 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.630 1.678 -8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.535 1.153 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.127 -1.208 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.247 -0.662 -9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.701 -2.126 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.874 -1.139 -5.836 1.00 0.00 H new ATOM 573 N TRP A 37 6.027 2.235 -8.703 1.00 0.00 N ATOM 574 CA TRP A 37 5.246 3.465 -8.540 1.00 0.00 C ATOM 575 C TRP A 37 5.074 3.831 -7.074 1.00 0.00 C ATOM 576 O TRP A 37 5.053 2.981 -6.184 1.00 0.00 O ATOM 577 CB TRP A 37 3.880 3.369 -9.242 1.00 0.00 C ATOM 578 CG TRP A 37 3.997 3.375 -10.743 1.00 0.00 C ATOM 579 CD1 TRP A 37 4.371 2.371 -11.589 1.00 0.00 C ATOM 580 CD2 TRP A 37 3.699 4.511 -11.589 1.00 0.00 C ATOM 581 NE1 TRP A 37 4.354 2.814 -12.889 1.00 0.00 N ATOM 582 CE2 TRP A 37 3.945 4.121 -12.907 1.00 0.00 C ATOM 583 CE3 TRP A 37 3.250 5.812 -11.335 1.00 0.00 C ATOM 584 CZ2 TRP A 37 3.764 4.987 -13.974 1.00 0.00 C ATOM 585 CZ3 TRP A 37 3.063 6.681 -12.402 1.00 0.00 C ATOM 586 CH2 TRP A 37 3.316 6.277 -13.688 1.00 0.00 C ATOM 0 H TRP A 37 5.707 1.460 -8.122 1.00 0.00 H new ATOM 0 HA TRP A 37 5.812 4.264 -9.019 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.376 2.456 -8.924 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.255 4.204 -8.927 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.641 1.372 -11.280 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.605 2.260 -13.708 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.052 6.135 -10.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.962 4.675 -14.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.714 7.686 -12.217 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.165 6.974 -14.499 1.00 0.00 H new ATOM 597 N ILE A 38 4.944 5.128 -6.828 1.00 0.00 N ATOM 598 CA ILE A 38 4.850 5.639 -5.470 1.00 0.00 C ATOM 599 C ILE A 38 3.475 6.186 -5.131 1.00 0.00 C ATOM 600 O ILE A 38 2.855 6.922 -5.895 1.00 0.00 O ATOM 601 CB ILE A 38 5.897 6.736 -5.222 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.299 6.157 -5.389 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.718 7.328 -3.829 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.370 7.217 -5.393 1.00 0.00 C ATOM 0 H ILE A 38 4.901 5.845 -7.553 1.00 0.00 H new ATOM 0 HA ILE A 38 5.039 4.784 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 38 5.761 7.535 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.495 5.452 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.347 5.595 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.465 8.104 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.721 7.760 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.839 6.544 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.346 6.747 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.195 7.908 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.345 7.763 -4.450 1.00 0.00 H new ATOM 616 N VAL A 39 2.946 5.783 -3.990 1.00 0.00 N ATOM 617 CA VAL A 39 1.660 6.328 -3.616 1.00 0.00 C ATOM 618 C VAL A 39 1.821 7.216 -2.391 1.00 0.00 C ATOM 619 O VAL A 39 2.297 6.790 -1.342 1.00 0.00 O ATOM 620 CB VAL A 39 0.637 5.225 -3.341 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.653 5.899 -2.943 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.434 4.362 -4.577 1.00 0.00 C ATOM 0 H VAL A 39 3.361 5.117 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 39 1.285 6.920 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 39 0.986 4.568 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.411 5.143 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.489 6.500 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.993 6.542 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.297 3.583 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.073 4.981 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.381 3.902 -4.859 1.00 0.00 H new ATOM 632 N ASP A 40 1.432 8.472 -2.526 1.00 0.00 N ATOM 633 CA ASP A 40 1.533 9.411 -1.428 1.00 0.00 C ATOM 634 C ASP A 40 0.266 9.232 -0.613 1.00 0.00 C ATOM 635 O ASP A 40 -0.838 9.276 -1.161 1.00 0.00 O ATOM 636 CB ASP A 40 1.689 10.839 -1.956 1.00 0.00 C ATOM 637 CG ASP A 40 3.028 11.071 -2.646 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.936 10.322 -2.381 1.00 0.00 O ATOM 639 OD2 ASP A 40 3.135 11.986 -3.430 1.00 0.00 O ATOM 0 H ASP A 40 1.044 8.863 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 40 2.411 9.229 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.882 11.052 -2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.586 11.541 -1.128 1.00 0.00 H new ATOM 644 N MET A 41 0.398 9.004 0.692 1.00 0.00 N ATOM 645 CA MET A 41 -0.807 8.795 1.479 1.00 0.00 C ATOM 646 C MET A 41 -0.963 9.553 2.782 1.00 0.00 C ATOM 647 O MET A 41 -0.042 9.692 3.583 1.00 0.00 O ATOM 648 CB MET A 41 -0.950 7.325 1.801 1.00 0.00 C ATOM 649 CG MET A 41 -1.154 6.441 0.592 1.00 0.00 C ATOM 650 SD MET A 41 -1.415 4.728 1.027 1.00 0.00 S ATOM 651 CE MET A 41 -3.012 4.884 1.796 1.00 0.00 C ATOM 0 H MET A 41 1.280 8.961 1.203 1.00 0.00 H new ATOM 0 HA MET A 41 -1.581 9.198 0.827 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.058 6.993 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.793 7.194 2.479 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.011 6.802 0.024 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.284 6.518 -0.060 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.525 3.922 1.769 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.888 5.199 2.832 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.603 5.626 1.259 1.00 0.00 H new ATOM 661 N GLU A 42 -2.181 10.046 2.974 1.00 0.00 N ATOM 662 CA GLU A 42 -2.572 10.758 4.183 1.00 0.00 C ATOM 663 C GLU A 42 -3.539 9.895 4.988 1.00 0.00 C ATOM 664 O GLU A 42 -4.499 9.365 4.426 1.00 0.00 O ATOM 665 CB GLU A 42 -3.189 12.102 3.813 1.00 0.00 C ATOM 666 CG GLU A 42 -3.607 12.971 4.984 1.00 0.00 C ATOM 667 CD GLU A 42 -4.120 14.309 4.526 1.00 0.00 C ATOM 668 OE1 GLU A 42 -4.046 14.572 3.349 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.581 15.072 5.342 1.00 0.00 O ATOM 0 H GLU A 42 -2.931 9.962 2.288 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.697 10.954 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.472 12.657 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.063 11.921 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.381 12.461 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.758 13.116 5.652 1.00 0.00 H new ATOM 676 N GLY A 43 -3.289 9.733 6.286 1.00 0.00 N ATOM 677 CA GLY A 43 -4.153 8.901 7.115 1.00 0.00 C ATOM 678 C GLY A 43 -5.571 9.447 7.265 1.00 0.00 C ATOM 679 O GLY A 43 -5.807 10.655 7.359 1.00 0.00 O ATOM 0 H GLY A 43 -2.506 10.161 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.202 7.901 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.705 8.800 8.104 1.00 0.00 H new ATOM 683 N ALA A 44 -6.502 8.499 7.352 1.00 0.00 N ATOM 684 CA ALA A 44 -7.939 8.738 7.417 1.00 0.00 C ATOM 685 C ALA A 44 -8.396 9.469 8.686 1.00 0.00 C ATOM 686 O ALA A 44 -7.882 9.205 9.778 1.00 0.00 O ATOM 687 CB ALA A 44 -8.670 7.405 7.330 1.00 0.00 C ATOM 0 H ALA A 44 -6.266 7.507 7.380 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.179 9.390 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.745 7.576 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.422 6.915 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.366 6.769 8.161 1.00 0.00 H new ATOM 693 N PRO A 45 -9.392 10.357 8.558 1.00 0.00 N ATOM 694 CA PRO A 45 -9.904 11.138 9.648 1.00 0.00 C ATOM 695 C PRO A 45 -10.658 10.295 10.640 1.00 0.00 C ATOM 696 O PRO A 45 -11.390 9.373 10.279 1.00 0.00 O ATOM 697 CB PRO A 45 -10.807 12.135 8.915 1.00 0.00 C ATOM 698 CG PRO A 45 -11.192 11.443 7.635 1.00 0.00 C ATOM 699 CD PRO A 45 -9.996 10.604 7.244 1.00 0.00 C ATOM 0 HA PRO A 45 -9.134 11.614 10.255 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.686 12.383 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.283 13.070 8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.076 10.821 7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.433 12.167 6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.285 9.681 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.321 11.134 6.572 1.00 0.00 H new ATOM 707 N GLY A 46 -10.471 10.641 11.906 1.00 0.00 N ATOM 708 CA GLY A 46 -11.073 9.896 12.992 1.00 0.00 C ATOM 709 C GLY A 46 -10.129 8.807 13.498 1.00 0.00 C ATOM 710 O GLY A 46 -10.414 8.187 14.523 1.00 0.00 O ATOM 0 H GLY A 46 -9.905 11.436 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.323 10.574 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.007 9.445 12.655 1.00 0.00 H new ATOM 714 N THR A 47 -9.015 8.557 12.798 1.00 0.00 N ATOM 715 CA THR A 47 -8.084 7.543 13.261 1.00 0.00 C ATOM 716 C THR A 47 -6.892 8.241 13.871 1.00 0.00 C ATOM 717 O THR A 47 -6.741 9.460 13.774 1.00 0.00 O ATOM 718 CB THR A 47 -7.529 6.643 12.141 1.00 0.00 C ATOM 719 OG1 THR A 47 -6.639 7.412 11.323 1.00 0.00 O ATOM 720 CG2 THR A 47 -8.661 6.118 11.272 1.00 0.00 C ATOM 0 H THR A 47 -8.749 9.032 11.935 1.00 0.00 H new ATOM 0 HA THR A 47 -8.638 6.916 13.960 1.00 0.00 H new ATOM 0 HB THR A 47 -7.004 5.801 12.592 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.152 7.880 10.632 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.252 5.484 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.351 5.537 11.885 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.193 6.956 10.822 1.00 0.00 H new ATOM 728 N LEU A 48 -6.000 7.443 14.439 1.00 0.00 N ATOM 729 CA LEU A 48 -4.774 7.933 15.051 1.00 0.00 C ATOM 730 C LEU A 48 -3.781 8.478 14.025 1.00 0.00 C ATOM 731 O LEU A 48 -2.786 9.099 14.401 1.00 0.00 O ATOM 732 CB LEU A 48 -4.107 6.800 15.832 1.00 0.00 C ATOM 733 CG LEU A 48 -4.887 6.291 17.048 1.00 0.00 C ATOM 734 CD1 LEU A 48 -4.164 5.085 17.627 1.00 0.00 C ATOM 735 CD2 LEU A 48 -5.003 7.409 18.073 1.00 0.00 C ATOM 0 H LEU A 48 -6.107 6.430 14.488 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.051 8.754 15.713 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.939 5.964 15.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.127 7.140 16.167 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.893 5.987 16.759 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.711 4.714 18.494 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.104 4.300 16.873 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.158 5.375 17.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.558 7.051 18.940 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.006 7.723 18.384 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.528 8.255 17.630 1.00 0.00 H new ATOM 747 N TYR A 49 -4.042 8.243 12.737 1.00 0.00 N ATOM 748 CA TYR A 49 -3.174 8.687 11.676 1.00 0.00 C ATOM 749 C TYR A 49 -3.798 9.841 10.899 1.00 0.00 C ATOM 750 O TYR A 49 -3.282 10.198 9.844 1.00 0.00 O ATOM 751 CB TYR A 49 -2.886 7.472 10.799 1.00 0.00 C ATOM 752 CG TYR A 49 -2.176 6.435 11.638 1.00 0.00 C ATOM 753 CD1 TYR A 49 -0.799 6.469 11.749 1.00 0.00 C ATOM 754 CD2 TYR A 49 -2.901 5.460 12.309 1.00 0.00 C ATOM 755 CE1 TYR A 49 -0.143 5.540 12.528 1.00 0.00 C ATOM 756 CE2 TYR A 49 -2.248 4.527 13.092 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.862 4.574 13.200 1.00 0.00 C ATOM 758 OH TYR A 49 -0.196 3.657 13.979 1.00 0.00 O ATOM 0 H TYR A 49 -4.867 7.737 12.413 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.238 9.082 12.072 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.814 7.065 10.399 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.269 7.757 9.947 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.235 7.226 11.224 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.977 5.430 12.219 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.933 5.569 12.612 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.809 3.767 13.616 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.842 3.044 14.387 1.00 0.00 H new ATOM 768 N GLU A 50 -4.896 10.420 11.401 1.00 0.00 N ATOM 769 CA GLU A 50 -5.544 11.548 10.734 1.00 0.00 C ATOM 770 C GLU A 50 -4.621 12.691 10.352 1.00 0.00 C ATOM 771 O GLU A 50 -4.165 13.450 11.210 1.00 0.00 O ATOM 772 CB GLU A 50 -6.656 12.108 11.618 1.00 0.00 C ATOM 773 CG GLU A 50 -7.336 13.338 11.028 1.00 0.00 C ATOM 774 CD GLU A 50 -8.534 13.800 11.810 1.00 0.00 C ATOM 775 OE1 GLU A 50 -9.018 13.055 12.631 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.974 14.902 11.581 1.00 0.00 O ATOM 0 H GLU A 50 -5.351 10.124 12.265 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.928 11.134 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.404 11.333 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.241 12.364 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.613 14.151 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.644 13.117 10.006 1.00 0.00 H new ATOM 783 N GLY A 51 -4.352 12.814 9.053 1.00 0.00 N ATOM 784 CA GLY A 51 -3.500 13.885 8.545 1.00 0.00 C ATOM 785 C GLY A 51 -2.014 13.528 8.485 1.00 0.00 C ATOM 786 O GLY A 51 -1.206 14.306 7.974 1.00 0.00 O ATOM 0 H GLY A 51 -4.712 12.185 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.837 14.159 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.626 14.765 9.176 1.00 0.00 H new ATOM 790 N GLU A 52 -1.654 12.362 9.008 1.00 0.00 N ATOM 791 CA GLU A 52 -0.281 11.893 9.044 1.00 0.00 C ATOM 792 C GLU A 52 0.092 11.284 7.709 1.00 0.00 C ATOM 793 O GLU A 52 -0.677 10.526 7.121 1.00 0.00 O ATOM 794 CB GLU A 52 -0.092 10.893 10.182 1.00 0.00 C ATOM 795 CG GLU A 52 1.334 10.407 10.334 1.00 0.00 C ATOM 796 CD GLU A 52 1.526 9.511 11.520 1.00 0.00 C ATOM 797 OE1 GLU A 52 0.631 9.401 12.322 1.00 0.00 O ATOM 798 OE2 GLU A 52 2.579 8.928 11.613 1.00 0.00 O ATOM 0 H GLU A 52 -2.319 11.710 9.424 1.00 0.00 H new ATOM 0 HA GLU A 52 0.382 12.738 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.411 11.355 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.743 10.035 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.628 9.872 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.997 11.267 10.425 1.00 0.00 H new ATOM 805 N LYS A 53 1.274 11.618 7.207 1.00 0.00 N ATOM 806 CA LYS A 53 1.619 11.104 5.893 1.00 0.00 C ATOM 807 C LYS A 53 2.796 10.139 5.825 1.00 0.00 C ATOM 808 O LYS A 53 3.709 10.146 6.655 1.00 0.00 O ATOM 809 CB LYS A 53 1.862 12.288 4.961 1.00 0.00 C ATOM 810 CG LYS A 53 0.606 13.122 4.731 1.00 0.00 C ATOM 811 CD LYS A 53 0.849 14.272 3.769 1.00 0.00 C ATOM 812 CE LYS A 53 -0.418 15.091 3.570 1.00 0.00 C ATOM 813 NZ LYS A 53 -0.203 16.234 2.640 1.00 0.00 N ATOM 0 H LYS A 53 1.973 12.208 7.659 1.00 0.00 H new ATOM 0 HA LYS A 53 0.768 10.496 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.643 12.922 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.231 11.922 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.185 12.483 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.254 13.516 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.643 14.911 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.190 13.883 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.207 14.449 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.762 15.467 4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.090 16.766 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.532 16.861 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.100 15.875 1.712 1.00 0.00 H new ATOM 827 N PHE A 54 2.714 9.292 4.801 1.00 0.00 N ATOM 828 CA PHE A 54 3.693 8.263 4.474 1.00 0.00 C ATOM 829 C PHE A 54 3.601 7.930 2.995 1.00 0.00 C ATOM 830 O PHE A 54 2.659 8.357 2.332 1.00 0.00 O ATOM 831 CB PHE A 54 3.407 7.002 5.285 1.00 0.00 C ATOM 832 CG PHE A 54 2.064 6.378 5.007 1.00 0.00 C ATOM 833 CD1 PHE A 54 0.946 6.786 5.721 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.910 5.384 4.052 1.00 0.00 C ATOM 835 CE1 PHE A 54 -0.289 6.213 5.497 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.675 4.804 3.830 1.00 0.00 C ATOM 837 CZ PHE A 54 -0.422 5.216 4.553 1.00 0.00 C ATOM 0 H PHE A 54 1.929 9.307 4.150 1.00 0.00 H new ATOM 0 HA PHE A 54 4.691 8.631 4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.186 6.267 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.470 7.244 6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.044 7.564 6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.764 5.060 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.149 6.544 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.570 4.026 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.385 4.759 4.381 1.00 0.00 H new ATOM 847 N GLN A 55 4.579 7.208 2.457 1.00 0.00 N ATOM 848 CA GLN A 55 4.488 6.825 1.060 1.00 0.00 C ATOM 849 C GLN A 55 4.509 5.313 0.917 1.00 0.00 C ATOM 850 O GLN A 55 5.023 4.610 1.783 1.00 0.00 O ATOM 851 CB GLN A 55 5.648 7.436 0.272 1.00 0.00 C ATOM 852 CG GLN A 55 5.667 8.950 0.215 1.00 0.00 C ATOM 853 CD GLN A 55 6.878 9.481 -0.532 1.00 0.00 C ATOM 854 OE1 GLN A 55 8.021 9.226 -0.142 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.643 10.218 -1.611 1.00 0.00 N ATOM 0 H GLN A 55 5.413 6.888 2.949 1.00 0.00 H new ATOM 0 HA GLN A 55 3.545 7.200 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.585 7.094 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.616 7.051 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.758 9.305 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.663 9.350 1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.683 10.406 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.422 10.596 -2.150 1.00 0.00 H new ATOM 864 N LEU A 56 3.894 4.794 -0.137 1.00 0.00 N ATOM 865 CA LEU A 56 4.013 3.367 -0.391 1.00 0.00 C ATOM 866 C LEU A 56 4.750 3.134 -1.691 1.00 0.00 C ATOM 867 O LEU A 56 4.550 3.835 -2.680 1.00 0.00 O ATOM 868 CB LEU A 56 2.657 2.677 -0.466 1.00 0.00 C ATOM 869 CG LEU A 56 1.785 2.712 0.783 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.463 2.055 0.437 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.491 1.983 1.920 1.00 0.00 C ATOM 0 H LEU A 56 3.329 5.316 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 56 4.566 2.940 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.094 3.128 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.824 1.633 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 56 1.606 3.735 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.187 2.063 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.014 2.603 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.639 1.025 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.866 2.009 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.670 0.947 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.443 2.471 2.129 1.00 0.00 H new ATOM 883 N LEU A 57 5.596 2.121 -1.709 1.00 0.00 N ATOM 884 CA LEU A 57 6.300 1.817 -2.937 1.00 0.00 C ATOM 885 C LEU A 57 5.774 0.497 -3.447 1.00 0.00 C ATOM 886 O LEU A 57 5.830 -0.502 -2.734 1.00 0.00 O ATOM 887 CB LEU A 57 7.813 1.747 -2.725 1.00 0.00 C ATOM 888 CG LEU A 57 8.620 1.401 -3.984 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.445 2.524 -5.000 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.084 1.225 -3.614 1.00 0.00 C ATOM 0 H LEU A 57 5.807 1.514 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 57 6.127 2.611 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.158 2.707 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.025 1.002 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 57 8.265 0.468 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.013 2.292 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.390 2.625 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.807 3.460 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.658 0.979 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.464 2.151 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.181 0.419 -2.887 1.00 0.00 H new ATOM 902 N PHE A 58 5.239 0.522 -4.663 1.00 0.00 N ATOM 903 CA PHE A 58 4.679 -0.628 -5.356 1.00 0.00 C ATOM 904 C PHE A 58 5.578 -1.137 -6.470 1.00 0.00 C ATOM 905 O PHE A 58 5.788 -0.458 -7.474 1.00 0.00 O ATOM 906 CB PHE A 58 3.312 -0.273 -5.943 1.00 0.00 C ATOM 907 CG PHE A 58 2.184 -0.106 -4.968 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.055 0.995 -4.136 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.208 -1.089 -4.924 1.00 0.00 C ATOM 910 CE1 PHE A 58 0.984 1.080 -3.264 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.140 -1.003 -4.056 1.00 0.00 C ATOM 912 CZ PHE A 58 0.032 0.085 -3.218 1.00 0.00 C ATOM 0 H PHE A 58 5.182 1.379 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 58 4.583 -1.422 -4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.414 0.654 -6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.035 -1.051 -6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.790 1.786 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.286 -1.941 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.893 1.936 -2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.607 -1.783 -4.033 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.795 0.158 -2.528 1.00 0.00 H new ATOM 922 N LYS A 59 6.150 -2.320 -6.280 1.00 0.00 N ATOM 923 CA LYS A 59 6.983 -2.918 -7.315 1.00 0.00 C ATOM 924 C LYS A 59 6.139 -3.841 -8.159 1.00 0.00 C ATOM 925 O LYS A 59 5.578 -4.810 -7.650 1.00 0.00 O ATOM 926 CB LYS A 59 8.150 -3.699 -6.726 1.00 0.00 C ATOM 927 CG LYS A 59 9.109 -4.299 -7.746 1.00 0.00 C ATOM 928 CD LYS A 59 10.227 -5.050 -7.036 1.00 0.00 C ATOM 929 CE LYS A 59 11.169 -5.735 -8.016 1.00 0.00 C ATOM 930 NZ LYS A 59 12.241 -6.491 -7.311 1.00 0.00 N ATOM 0 H LYS A 59 6.054 -2.877 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 59 7.395 -2.112 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.713 -3.038 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.753 -4.504 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.570 -4.976 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.529 -3.510 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.793 -4.355 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.795 -5.795 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.602 -6.415 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.620 -4.989 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.863 -6.944 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.798 -5.838 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.811 -7.220 -6.706 1.00 0.00 H new ATOM 944 N PHE A 60 6.072 -3.583 -9.457 1.00 0.00 N ATOM 945 CA PHE A 60 5.217 -4.423 -10.276 1.00 0.00 C ATOM 946 C PHE A 60 6.040 -5.460 -11.018 1.00 0.00 C ATOM 947 O PHE A 60 7.024 -5.130 -11.682 1.00 0.00 O ATOM 948 CB PHE A 60 4.481 -3.528 -11.257 1.00 0.00 C ATOM 949 CG PHE A 60 3.600 -2.579 -10.510 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.344 -2.940 -10.076 1.00 0.00 C ATOM 951 CD2 PHE A 60 4.058 -1.309 -10.220 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.545 -2.062 -9.375 1.00 0.00 C ATOM 953 CE2 PHE A 60 3.264 -0.428 -9.525 1.00 0.00 C ATOM 954 CZ PHE A 60 2.008 -0.795 -9.103 1.00 0.00 C ATOM 0 H PHE A 60 6.571 -2.839 -9.944 1.00 0.00 H new ATOM 0 HA PHE A 60 4.505 -4.957 -9.647 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.196 -2.974 -11.865 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.884 -4.133 -11.939 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.977 -3.933 -10.289 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.044 -1.007 -10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.564 -2.366 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.631 0.564 -9.308 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.389 -0.094 -8.562 1.00 0.00 H new ATOM 964 N SER A 61 5.631 -6.719 -10.881 1.00 0.00 N ATOM 965 CA SER A 61 6.316 -7.823 -11.537 1.00 0.00 C ATOM 966 C SER A 61 5.833 -7.945 -12.958 1.00 0.00 C ATOM 967 O SER A 61 4.881 -7.281 -13.356 1.00 0.00 O ATOM 968 CB SER A 61 6.062 -9.158 -10.864 1.00 0.00 C ATOM 969 OG SER A 61 4.764 -9.637 -11.106 1.00 0.00 O ATOM 0 H SER A 61 4.826 -6.998 -10.320 1.00 0.00 H new ATOM 0 HA SER A 61 7.381 -7.598 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.789 -9.887 -11.222 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.215 -9.056 -9.790 1.00 0.00 H new ATOM 0 HG SER A 61 4.196 -9.449 -10.330 1.00 0.00 H new ATOM 975 N SER A 62 6.462 -8.844 -13.705 1.00 0.00 N ATOM 976 CA SER A 62 6.082 -9.135 -15.081 1.00 0.00 C ATOM 977 C SER A 62 4.791 -9.955 -15.165 1.00 0.00 C ATOM 978 O SER A 62 4.269 -10.167 -16.260 1.00 0.00 O ATOM 979 CB SER A 62 7.197 -9.886 -15.784 1.00 0.00 C ATOM 980 OG SER A 62 7.370 -11.166 -15.241 1.00 0.00 O ATOM 0 H SER A 62 7.254 -9.394 -13.371 1.00 0.00 H new ATOM 0 HA SER A 62 5.906 -8.178 -15.572 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.970 -9.967 -16.847 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.127 -9.324 -15.699 1.00 0.00 H new ATOM 0 HG SER A 62 8.094 -11.627 -15.715 1.00 0.00 H new ATOM 986 N ARG A 63 4.285 -10.428 -14.022 1.00 0.00 N ATOM 987 CA ARG A 63 3.082 -11.232 -13.974 1.00 0.00 C ATOM 988 C ARG A 63 1.892 -10.422 -13.472 1.00 0.00 C ATOM 989 O ARG A 63 0.765 -10.756 -13.842 1.00 0.00 O ATOM 990 CB ARG A 63 3.316 -12.445 -13.090 1.00 0.00 C ATOM 991 CG ARG A 63 4.389 -13.393 -13.591 1.00 0.00 C ATOM 992 CD ARG A 63 3.959 -14.078 -14.838 1.00 0.00 C ATOM 993 NE ARG A 63 2.846 -14.986 -14.602 1.00 0.00 N ATOM 994 CZ ARG A 63 2.063 -15.514 -15.563 1.00 0.00 C ATOM 995 NH1 ARG A 63 2.280 -15.216 -16.825 1.00 0.00 N ATOM 996 NH2 ARG A 63 1.076 -16.333 -15.242 1.00 0.00 N ATOM 0 H ARG A 63 4.706 -10.258 -13.109 1.00 0.00 H new ATOM 0 HA ARG A 63 2.847 -11.564 -14.985 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.589 -12.103 -12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.380 -12.995 -12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.310 -12.840 -13.775 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.611 -14.134 -12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.669 -13.334 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.799 -14.634 -15.255 1.00 0.00 H new ATOM 0 HE ARG A 63 2.643 -15.242 -13.636 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.041 -14.585 -17.076 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.687 -15.616 -17.553 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.905 -16.567 -14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.485 -16.731 -15.972 1.00 0.00 H new ATOM 1010 N TYR A 64 2.138 -9.426 -12.607 1.00 0.00 N ATOM 1011 CA TYR A 64 1.124 -8.478 -12.120 1.00 0.00 C ATOM 1012 C TYR A 64 -0.043 -8.258 -13.105 1.00 0.00 C ATOM 1013 O TYR A 64 0.178 -7.901 -14.263 1.00 0.00 O ATOM 1014 CB TYR A 64 1.751 -7.116 -11.791 1.00 0.00 C ATOM 1015 CG TYR A 64 0.719 -6.124 -11.290 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.327 -6.157 -9.960 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.142 -5.195 -12.153 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.634 -5.277 -9.504 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.822 -4.314 -11.689 1.00 0.00 C ATOM 1020 CZ TYR A 64 -1.211 -4.354 -10.365 1.00 0.00 C ATOM 1021 OH TYR A 64 -2.169 -3.505 -9.852 1.00 0.00 O ATOM 0 H TYR A 64 3.065 -9.254 -12.219 1.00 0.00 H new ATOM 0 HA TYR A 64 0.717 -8.938 -11.219 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.526 -7.246 -11.036 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.237 -6.716 -12.681 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.773 -6.870 -9.282 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.447 -5.161 -13.188 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.939 -5.307 -8.469 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.268 -3.597 -12.362 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.694 -3.123 -10.586 1.00 0.00 H new ATOM 1031 N PRO A 65 -1.292 -8.408 -12.657 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.746 -8.716 -11.321 1.00 0.00 C ATOM 1033 C PRO A 65 -1.935 -10.188 -11.014 1.00 0.00 C ATOM 1034 O PRO A 65 -2.697 -10.534 -10.117 1.00 0.00 O ATOM 1035 CB PRO A 65 -3.057 -7.929 -11.318 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.566 -8.050 -12.723 1.00 0.00 C ATOM 1037 CD PRO A 65 -2.329 -7.987 -13.598 1.00 0.00 C ATOM 0 HA PRO A 65 -1.027 -8.454 -10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.767 -8.342 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.895 -6.887 -11.042 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.104 -8.987 -12.868 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.259 -7.244 -12.962 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.399 -8.653 -14.458 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.150 -6.984 -13.986 1.00 0.00 H new ATOM 1045 N PHE A 66 -1.257 -11.067 -11.740 1.00 0.00 N ATOM 1046 CA PHE A 66 -1.267 -12.480 -11.396 1.00 0.00 C ATOM 1047 C PHE A 66 -0.601 -12.554 -10.023 1.00 0.00 C ATOM 1048 O PHE A 66 -1.108 -13.183 -9.092 1.00 0.00 O ATOM 1049 CB PHE A 66 -0.507 -13.284 -12.443 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.383 -14.751 -12.174 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.426 -15.620 -12.454 1.00 0.00 C ATOM 1052 CD2 PHE A 66 0.786 -15.266 -11.638 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -1.299 -16.974 -12.206 1.00 0.00 C ATOM 1054 CE2 PHE A 66 0.918 -16.616 -11.389 1.00 0.00 C ATOM 1055 CZ PHE A 66 -0.128 -17.472 -11.674 1.00 0.00 C ATOM 0 H PHE A 66 -0.700 -10.830 -12.561 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.272 -12.902 -11.369 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.001 -13.151 -13.405 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.495 -12.865 -12.539 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.346 -15.236 -12.870 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.606 -14.601 -11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.117 -17.642 -12.429 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.836 -17.003 -10.972 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.029 -18.530 -11.480 1.00 0.00 H new ATOM 1065 N ASP A 67 0.574 -11.931 -9.939 1.00 0.00 N ATOM 1066 CA ASP A 67 1.326 -11.791 -8.702 1.00 0.00 C ATOM 1067 C ASP A 67 1.063 -10.443 -8.036 1.00 0.00 C ATOM 1068 O ASP A 67 0.740 -9.460 -8.704 1.00 0.00 O ATOM 1069 CB ASP A 67 2.827 -11.929 -8.949 1.00 0.00 C ATOM 1070 CG ASP A 67 3.271 -13.332 -9.322 1.00 0.00 C ATOM 1071 OD1 ASP A 67 2.585 -14.268 -8.991 1.00 0.00 O ATOM 1072 OD2 ASP A 67 4.305 -13.453 -9.933 1.00 0.00 O ATOM 0 H ASP A 67 1.033 -11.504 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 67 0.990 -12.590 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.117 -11.245 -9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.361 -11.618 -8.052 1.00 0.00 H new ATOM 1077 N SER A 68 1.194 -10.418 -6.712 1.00 0.00 N ATOM 1078 CA SER A 68 1.052 -9.199 -5.925 1.00 0.00 C ATOM 1079 C SER A 68 2.202 -8.262 -6.187 1.00 0.00 C ATOM 1080 O SER A 68 3.321 -8.734 -6.396 1.00 0.00 O ATOM 1081 CB SER A 68 1.050 -9.464 -4.429 1.00 0.00 C ATOM 1082 OG SER A 68 1.026 -8.263 -3.694 1.00 0.00 O ATOM 0 H SER A 68 1.402 -11.246 -6.154 1.00 0.00 H new ATOM 0 HA SER A 68 0.097 -8.767 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.183 -10.070 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.935 -10.040 -4.159 1.00 0.00 H new ATOM 0 HG SER A 68 1.890 -7.809 -3.781 1.00 0.00 H new ATOM 1088 N PRO A 69 1.973 -6.952 -6.211 1.00 0.00 N ATOM 1089 CA PRO A 69 3.041 -6.012 -6.309 1.00 0.00 C ATOM 1090 C PRO A 69 3.724 -6.061 -4.948 1.00 0.00 C ATOM 1091 O PRO A 69 3.108 -6.493 -3.965 1.00 0.00 O ATOM 1092 CB PRO A 69 2.297 -4.707 -6.613 1.00 0.00 C ATOM 1093 CG PRO A 69 0.930 -4.918 -6.002 1.00 0.00 C ATOM 1094 CD PRO A 69 0.616 -6.398 -6.164 1.00 0.00 C ATOM 0 HA PRO A 69 3.815 -6.170 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.803 -3.847 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.232 -4.525 -7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.925 -4.632 -4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.181 -4.304 -6.502 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.035 -6.793 -5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.051 -6.606 -7.073 1.00 0.00 H new ATOM 1102 N GLN A 70 5.003 -5.710 -4.894 1.00 0.00 N ATOM 1103 CA GLN A 70 5.683 -5.693 -3.603 1.00 0.00 C ATOM 1104 C GLN A 70 5.318 -4.369 -2.986 1.00 0.00 C ATOM 1105 O GLN A 70 5.557 -3.342 -3.614 1.00 0.00 O ATOM 1106 CB GLN A 70 7.199 -5.832 -3.716 1.00 0.00 C ATOM 1107 CG GLN A 70 7.923 -5.898 -2.384 1.00 0.00 C ATOM 1108 CD GLN A 70 9.418 -6.089 -2.561 1.00 0.00 C ATOM 1109 OE1 GLN A 70 9.947 -5.959 -3.669 1.00 0.00 O ATOM 1110 NE2 GLN A 70 10.109 -6.398 -1.470 1.00 0.00 N ATOM 0 H GLN A 70 5.574 -5.442 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 70 5.370 -6.546 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.428 -6.733 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.588 -4.988 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.738 -4.981 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.520 -6.720 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.631 -6.496 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.118 -6.538 -1.528 1.00 0.00 H new ATOM 1119 N VAL A 71 4.737 -4.352 -1.788 1.00 0.00 N ATOM 1120 CA VAL A 71 4.360 -3.047 -1.257 1.00 0.00 C ATOM 1121 C VAL A 71 5.016 -2.776 0.084 1.00 0.00 C ATOM 1122 O VAL A 71 4.867 -3.553 1.028 1.00 0.00 O ATOM 1123 CB VAL A 71 2.840 -2.932 -1.131 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.473 -1.548 -0.607 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.253 -3.241 -2.489 1.00 0.00 C ATOM 0 H VAL A 71 4.529 -5.162 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 71 4.715 -2.296 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 71 2.429 -3.641 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.390 -1.468 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.930 -1.396 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.837 -0.789 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.166 -3.169 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.632 -2.527 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.537 -4.250 -2.787 1.00 0.00 H new ATOM 1135 N MET A 72 5.756 -1.671 0.149 1.00 0.00 N ATOM 1136 CA MET A 72 6.458 -1.301 1.375 1.00 0.00 C ATOM 1137 C MET A 72 6.294 0.172 1.758 1.00 0.00 C ATOM 1138 O MET A 72 6.036 1.029 0.915 1.00 0.00 O ATOM 1139 CB MET A 72 7.945 -1.635 1.217 1.00 0.00 C ATOM 1140 CG MET A 72 8.247 -3.115 0.981 1.00 0.00 C ATOM 1141 SD MET A 72 10.007 -3.478 0.822 1.00 0.00 S ATOM 1142 CE MET A 72 10.575 -3.342 2.512 1.00 0.00 C ATOM 0 H MET A 72 5.884 -1.021 -0.627 1.00 0.00 H new ATOM 0 HA MET A 72 6.010 -1.876 2.186 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.346 -1.059 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.474 -1.309 2.113 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.838 -3.697 1.807 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.734 -3.442 0.076 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.630 -3.612 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.445 -2.317 2.858 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.997 -4.015 3.145 1.00 0.00 H new ATOM 1152 N PHE A 73 6.444 0.478 3.045 1.00 0.00 N ATOM 1153 CA PHE A 73 6.354 1.867 3.484 1.00 0.00 C ATOM 1154 C PHE A 73 7.652 2.594 3.156 1.00 0.00 C ATOM 1155 O PHE A 73 8.746 2.049 3.316 1.00 0.00 O ATOM 1156 CB PHE A 73 6.103 2.019 4.992 1.00 0.00 C ATOM 1157 CG PHE A 73 4.725 1.705 5.510 1.00 0.00 C ATOM 1158 CD1 PHE A 73 3.710 2.643 5.417 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.433 0.494 6.107 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.442 2.379 5.902 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.162 0.229 6.594 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.163 1.167 6.490 1.00 0.00 C ATOM 0 H PHE A 73 6.624 -0.199 3.786 1.00 0.00 H new ATOM 0 HA PHE A 73 5.502 2.294 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.812 1.377 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.339 3.047 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.913 3.599 4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.205 -0.256 6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.668 3.127 5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.955 -0.723 7.059 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.172 0.956 6.865 1.00 0.00 H new ATOM 1172 N THR A 74 7.504 3.833 2.704 1.00 0.00 N ATOM 1173 CA THR A 74 8.590 4.722 2.319 1.00 0.00 C ATOM 1174 C THR A 74 8.563 6.055 3.064 1.00 0.00 C ATOM 1175 O THR A 74 7.525 6.700 3.251 1.00 0.00 O ATOM 1176 CB THR A 74 8.564 4.963 0.794 1.00 0.00 C ATOM 1177 OG1 THR A 74 8.760 3.715 0.117 1.00 0.00 O ATOM 1178 CG2 THR A 74 9.625 5.961 0.358 1.00 0.00 C ATOM 0 H THR A 74 6.586 4.262 2.591 1.00 0.00 H new ATOM 0 HA THR A 74 9.519 4.225 2.599 1.00 0.00 H new ATOM 0 HB THR A 74 7.593 5.385 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.207 3.875 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.571 6.101 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.454 6.915 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.612 5.583 0.626 1.00 0.00 H new ATOM 1186 N GLY A 75 9.753 6.449 3.512 1.00 0.00 N ATOM 1187 CA GLY A 75 9.960 7.693 4.238 1.00 0.00 C ATOM 1188 C GLY A 75 10.614 7.431 5.586 1.00 0.00 C ATOM 1189 O GLY A 75 10.844 6.283 5.965 1.00 0.00 O ATOM 0 H GLY A 75 10.606 5.906 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.587 8.363 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.005 8.197 4.384 1.00 0.00 H new ATOM 1193 N GLU A 76 10.924 8.509 6.301 1.00 0.00 N ATOM 1194 CA GLU A 76 11.525 8.419 7.628 1.00 0.00 C ATOM 1195 C GLU A 76 10.476 8.041 8.667 1.00 0.00 C ATOM 1196 O GLU A 76 10.791 7.467 9.712 1.00 0.00 O ATOM 1197 CB GLU A 76 12.187 9.744 8.007 1.00 0.00 C ATOM 1198 CG GLU A 76 13.406 10.097 7.167 1.00 0.00 C ATOM 1199 CD GLU A 76 14.021 11.414 7.551 1.00 0.00 C ATOM 1200 OE1 GLU A 76 13.450 12.101 8.364 1.00 0.00 O ATOM 1201 OE2 GLU A 76 15.062 11.734 7.029 1.00 0.00 O ATOM 0 H GLU A 76 10.767 9.464 5.979 1.00 0.00 H new ATOM 0 HA GLU A 76 12.288 7.641 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.452 10.544 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.482 9.703 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.152 9.309 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.120 10.128 6.116 1.00 0.00 H new ATOM 1208 N ASN A 77 9.214 8.343 8.366 1.00 0.00 N ATOM 1209 CA ASN A 77 8.091 8.064 9.249 1.00 0.00 C ATOM 1210 C ASN A 77 7.682 6.597 9.222 1.00 0.00 C ATOM 1211 O ASN A 77 6.654 6.248 8.644 1.00 0.00 O ATOM 1212 CB ASN A 77 6.906 8.931 8.870 1.00 0.00 C ATOM 1213 CG ASN A 77 5.808 8.837 9.887 1.00 0.00 C ATOM 1214 OD1 ASN A 77 6.066 8.424 11.023 1.00 0.00 O ATOM 1215 ND2 ASN A 77 4.607 9.196 9.518 1.00 0.00 N ATOM 0 H ASN A 77 8.943 8.793 7.492 1.00 0.00 H new ATOM 0 HA ASN A 77 8.414 8.296 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.228 9.968 8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.527 8.625 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.833 9.142 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.444 9.531 8.568 1.00 0.00 H new ATOM 1222 N ILE A 78 8.501 5.757 9.847 1.00 0.00 N ATOM 1223 CA ILE A 78 8.263 4.322 9.921 1.00 0.00 C ATOM 1224 C ILE A 78 7.194 4.012 10.974 1.00 0.00 C ATOM 1225 O ILE A 78 7.358 4.422 12.123 1.00 0.00 O ATOM 1226 CB ILE A 78 9.565 3.585 10.273 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.589 3.830 9.162 1.00 0.00 C ATOM 1228 CG2 ILE A 78 9.301 2.091 10.440 1.00 0.00 C ATOM 1229 CD1 ILE A 78 11.983 3.377 9.522 1.00 0.00 C ATOM 0 H ILE A 78 9.354 6.056 10.319 1.00 0.00 H new ATOM 0 HA ILE A 78 7.911 3.981 8.947 1.00 0.00 H new ATOM 0 HB ILE A 78 9.957 3.964 11.217 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.267 3.309 8.260 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.610 4.894 8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.232 1.583 10.689 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.578 1.937 11.241 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.904 1.685 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.658 3.580 8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.324 3.916 10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.976 2.307 9.730 1.00 0.00 H new ATOM 1241 N PRO A 79 6.096 3.331 10.617 1.00 0.00 N ATOM 1242 CA PRO A 79 5.034 2.946 11.524 1.00 0.00 C ATOM 1243 C PRO A 79 5.468 2.049 12.676 1.00 0.00 C ATOM 1244 O PRO A 79 6.411 1.264 12.569 1.00 0.00 O ATOM 1245 CB PRO A 79 4.068 2.227 10.572 1.00 0.00 C ATOM 1246 CG PRO A 79 4.368 2.794 9.221 1.00 0.00 C ATOM 1247 CD PRO A 79 5.849 3.055 9.194 1.00 0.00 C ATOM 0 HA PRO A 79 4.614 3.801 12.053 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.224 1.148 10.591 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.030 2.405 10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.081 2.097 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.808 3.713 9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.415 2.196 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.110 3.899 8.556 1.00 0.00 H new ATOM 1255 N VAL A 80 4.728 2.170 13.774 1.00 0.00 N ATOM 1256 CA VAL A 80 4.926 1.409 15.005 1.00 0.00 C ATOM 1257 C VAL A 80 3.762 0.438 15.209 1.00 0.00 C ATOM 1258 O VAL A 80 3.458 0.030 16.330 1.00 0.00 O ATOM 1259 CB VAL A 80 5.042 2.358 16.210 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.282 3.228 16.065 1.00 0.00 C ATOM 1261 CG2 VAL A 80 3.789 3.218 16.288 1.00 0.00 C ATOM 0 H VAL A 80 3.947 2.823 13.834 1.00 0.00 H new ATOM 0 HA VAL A 80 5.853 0.841 14.921 1.00 0.00 H new ATOM 0 HB VAL A 80 5.135 1.780 17.130 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.359 3.898 16.921 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.168 2.594 16.020 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.209 3.816 15.150 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.864 3.894 17.140 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.689 3.800 15.372 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.915 2.578 16.408 1.00 0.00 H new ATOM 1271 N HIS A 81 3.118 0.105 14.095 1.00 0.00 N ATOM 1272 CA HIS A 81 1.968 -0.773 13.974 1.00 0.00 C ATOM 1273 C HIS A 81 2.300 -2.210 14.389 1.00 0.00 C ATOM 1274 O HIS A 81 3.413 -2.671 14.147 1.00 0.00 O ATOM 1275 CB HIS A 81 1.486 -0.755 12.513 1.00 0.00 C ATOM 1276 CG HIS A 81 0.167 -1.413 12.290 1.00 0.00 C ATOM 1277 ND1 HIS A 81 -0.001 -2.781 12.228 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -1.058 -0.872 12.137 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -1.285 -3.050 12.049 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.941 -1.909 11.997 1.00 0.00 N ATOM 0 H HIS A 81 3.411 0.471 13.189 1.00 0.00 H new ATOM 0 HA HIS A 81 1.187 -0.412 14.643 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.423 0.280 12.177 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.233 -1.247 11.891 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.298 0.181 12.127 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.719 -4.035 11.961 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.949 -1.813 11.872 1.00 0.00 H new ATOM 1288 N PRO A 82 1.396 -2.950 15.040 1.00 0.00 N ATOM 1289 CA PRO A 82 1.600 -4.347 15.382 1.00 0.00 C ATOM 1290 C PRO A 82 2.003 -5.276 14.224 1.00 0.00 C ATOM 1291 O PRO A 82 2.598 -6.325 14.474 1.00 0.00 O ATOM 1292 CB PRO A 82 0.218 -4.691 15.953 1.00 0.00 C ATOM 1293 CG PRO A 82 -0.286 -3.397 16.536 1.00 0.00 C ATOM 1294 CD PRO A 82 0.223 -2.298 15.640 1.00 0.00 C ATOM 0 HA PRO A 82 2.447 -4.492 16.052 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.450 -5.063 15.176 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.286 -5.469 16.714 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.375 -3.389 16.579 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.075 -3.264 17.556 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.512 -2.001 14.892 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.490 -1.401 16.198 1.00 0.00 H new ATOM 1302 N HIS A 83 1.699 -4.913 12.975 1.00 0.00 N ATOM 1303 CA HIS A 83 2.042 -5.755 11.839 1.00 0.00 C ATOM 1304 C HIS A 83 2.784 -5.012 10.719 1.00 0.00 C ATOM 1305 O HIS A 83 2.297 -4.897 9.593 1.00 0.00 O ATOM 1306 CB HIS A 83 0.742 -6.350 11.284 1.00 0.00 C ATOM 1307 CG HIS A 83 0.003 -7.181 12.283 1.00 0.00 C ATOM 1308 ND1 HIS A 83 0.427 -8.436 12.665 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -1.131 -6.939 12.982 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -0.415 -8.929 13.556 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -1.369 -8.042 13.765 1.00 0.00 N ATOM 0 H HIS A 83 1.219 -4.046 12.731 1.00 0.00 H new ATOM 0 HA HIS A 83 2.727 -6.525 12.194 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.095 -5.541 10.944 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.973 -6.961 10.412 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.736 -6.045 12.933 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.336 -9.895 14.033 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.156 -8.157 14.404 1.00 0.00 H new ATOM 1319 N VAL A 84 3.988 -4.540 11.041 1.00 0.00 N ATOM 1320 CA VAL A 84 4.852 -3.839 10.090 1.00 0.00 C ATOM 1321 C VAL A 84 6.292 -4.046 10.541 1.00 0.00 C ATOM 1322 O VAL A 84 6.563 -4.153 11.738 1.00 0.00 O ATOM 1323 CB VAL A 84 4.557 -2.322 10.030 1.00 0.00 C ATOM 1324 CG1 VAL A 84 4.941 -1.711 11.360 1.00 0.00 C ATOM 1325 CG2 VAL A 84 5.310 -1.638 8.896 1.00 0.00 C ATOM 0 H VAL A 84 4.394 -4.633 11.972 1.00 0.00 H new ATOM 0 HA VAL A 84 4.671 -4.241 9.093 1.00 0.00 H new ATOM 0 HB VAL A 84 3.495 -2.177 9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.741 -0.640 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.357 -2.174 12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.002 -1.878 11.544 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.073 -0.574 8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.382 -1.770 9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.014 -2.080 7.944 1.00 0.00 H new ATOM 1335 N TYR A 85 7.211 -4.110 9.593 1.00 0.00 N ATOM 1336 CA TYR A 85 8.616 -4.276 9.903 1.00 0.00 C ATOM 1337 C TYR A 85 9.326 -2.937 9.801 1.00 0.00 C ATOM 1338 O TYR A 85 8.897 -2.054 9.059 1.00 0.00 O ATOM 1339 CB TYR A 85 9.227 -5.295 8.958 1.00 0.00 C ATOM 1340 CG TYR A 85 8.654 -6.680 9.166 1.00 0.00 C ATOM 1341 CD1 TYR A 85 7.528 -7.090 8.468 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.254 -7.543 10.064 1.00 0.00 C ATOM 1343 CE1 TYR A 85 7.011 -8.353 8.660 1.00 0.00 C ATOM 1344 CE2 TYR A 85 8.739 -8.809 10.264 1.00 0.00 C ATOM 1345 CZ TYR A 85 7.622 -9.215 9.562 1.00 0.00 C ATOM 1346 OH TYR A 85 7.103 -10.476 9.751 1.00 0.00 O ATOM 0 H TYR A 85 7.005 -4.049 8.596 1.00 0.00 H new ATOM 0 HA TYR A 85 8.729 -4.643 10.923 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.054 -4.983 7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.307 -5.324 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.054 -6.416 7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.129 -7.226 10.612 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.136 -8.671 8.112 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.209 -9.480 10.968 1.00 0.00 H new ATOM 0 HH TYR A 85 7.644 -10.956 10.412 1.00 0.00 H new ATOM 1356 N SER A 86 10.428 -2.800 10.537 1.00 0.00 N ATOM 1357 CA SER A 86 11.202 -1.559 10.586 1.00 0.00 C ATOM 1358 C SER A 86 11.859 -1.184 9.261 1.00 0.00 C ATOM 1359 O SER A 86 12.275 -0.040 9.078 1.00 0.00 O ATOM 1360 CB SER A 86 12.279 -1.668 11.644 1.00 0.00 C ATOM 1361 OG SER A 86 13.245 -2.614 11.278 1.00 0.00 O ATOM 0 H SER A 86 10.810 -3.547 11.117 1.00 0.00 H new ATOM 0 HA SER A 86 10.486 -0.772 10.823 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.752 -0.697 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.831 -1.950 12.597 1.00 0.00 H new ATOM 0 HG SER A 86 13.932 -2.667 11.975 1.00 0.00 H new ATOM 1367 N ASN A 87 11.972 -2.137 8.340 1.00 0.00 N ATOM 1368 CA ASN A 87 12.509 -1.852 7.022 1.00 0.00 C ATOM 1369 C ASN A 87 11.423 -1.452 6.022 1.00 0.00 C ATOM 1370 O ASN A 87 11.718 -1.288 4.838 1.00 0.00 O ATOM 1371 CB ASN A 87 13.273 -3.056 6.512 1.00 0.00 C ATOM 1372 CG ASN A 87 12.393 -4.253 6.276 1.00 0.00 C ATOM 1373 OD1 ASN A 87 11.164 -4.206 6.411 1.00 0.00 O ATOM 1374 ND2 ASN A 87 13.016 -5.348 5.920 1.00 0.00 N ATOM 0 H ASN A 87 11.699 -3.109 8.486 1.00 0.00 H new ATOM 0 HA ASN A 87 13.181 -0.999 7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.776 -2.793 5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.049 -3.318 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.486 -6.202 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.031 -5.347 5.819 1.00 0.00 H new ATOM 1381 N GLY A 88 10.180 -1.283 6.482 1.00 0.00 N ATOM 1382 CA GLY A 88 9.078 -0.884 5.619 1.00 0.00 C ATOM 1383 C GLY A 88 8.208 -2.052 5.160 1.00 0.00 C ATOM 1384 O GLY A 88 7.167 -1.831 4.541 1.00 0.00 O ATOM 0 H GLY A 88 9.916 -1.419 7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.455 -0.164 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.479 -0.374 4.743 1.00 0.00 H new ATOM 1388 N HIS A 89 8.607 -3.294 5.428 1.00 0.00 N ATOM 1389 CA HIS A 89 7.780 -4.407 4.973 1.00 0.00 C ATOM 1390 C HIS A 89 6.431 -4.414 5.676 1.00 0.00 C ATOM 1391 O HIS A 89 6.310 -4.216 6.884 1.00 0.00 O ATOM 1392 CB HIS A 89 8.499 -5.745 5.154 1.00 0.00 C ATOM 1393 CG HIS A 89 7.748 -6.895 4.568 1.00 0.00 C ATOM 1394 ND1 HIS A 89 6.651 -7.456 5.187 1.00 0.00 N ATOM 1395 CD2 HIS A 89 7.927 -7.589 3.420 1.00 0.00 C ATOM 1396 CE1 HIS A 89 6.188 -8.447 4.447 1.00 0.00 C ATOM 1397 NE2 HIS A 89 6.945 -8.548 3.370 1.00 0.00 N ATOM 0 H HIS A 89 9.456 -3.548 5.933 1.00 0.00 H new ATOM 0 HA HIS A 89 7.601 -4.268 3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.484 -5.687 4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.657 -5.925 6.217 1.00 0.00 H new ATOM 0 HD1 HIS A 89 6.258 -7.153 6.078 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.697 -7.420 2.682 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.336 -9.068 4.682 1.00 0.00 H new ATOM 1405 N ILE A 90 5.385 -4.653 4.900 1.00 0.00 N ATOM 1406 CA ILE A 90 4.039 -4.604 5.445 1.00 0.00 C ATOM 1407 C ILE A 90 3.449 -5.979 5.689 1.00 0.00 C ATOM 1408 O ILE A 90 3.251 -6.753 4.750 1.00 0.00 O ATOM 1409 CB ILE A 90 3.138 -3.825 4.481 1.00 0.00 C ATOM 1410 CG1 ILE A 90 3.750 -2.445 4.331 1.00 0.00 C ATOM 1411 CG2 ILE A 90 1.710 -3.742 5.001 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.105 -1.570 3.297 1.00 0.00 C ATOM 0 H ILE A 90 5.440 -4.879 3.907 1.00 0.00 H new ATOM 0 HA ILE A 90 4.097 -4.107 6.414 1.00 0.00 H new ATOM 0 HB ILE A 90 3.079 -4.329 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.703 -1.937 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.805 -2.558 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.097 -3.183 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.306 -4.748 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.703 -3.236 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.614 -0.607 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.175 -2.049 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.056 -1.418 3.552 1.00 0.00 H new ATOM 1424 N CYS A 91 3.096 -6.291 6.934 1.00 0.00 N ATOM 1425 CA CYS A 91 2.572 -7.630 7.148 1.00 0.00 C ATOM 1426 C CYS A 91 1.065 -7.571 6.971 1.00 0.00 C ATOM 1427 O CYS A 91 0.296 -7.366 7.911 1.00 0.00 O ATOM 1428 CB CYS A 91 2.955 -8.161 8.526 1.00 0.00 C ATOM 1429 SG CYS A 91 2.399 -9.849 8.854 1.00 0.00 S ATOM 0 H CYS A 91 3.156 -5.685 7.752 1.00 0.00 H new ATOM 0 HA CYS A 91 3.003 -8.322 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.039 -8.122 8.629 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.539 -7.500 9.286 1.00 0.00 H new ATOM 0 HG CYS A 91 2.775 -10.206 10.046 1.00 0.00 H new ATOM 1435 N LEU A 92 0.688 -7.770 5.715 1.00 0.00 N ATOM 1436 CA LEU A 92 -0.684 -7.742 5.236 1.00 0.00 C ATOM 1437 C LEU A 92 -0.920 -8.859 4.233 1.00 0.00 C ATOM 1438 O LEU A 92 -0.185 -8.978 3.252 1.00 0.00 O ATOM 1439 CB LEU A 92 -0.953 -6.368 4.624 1.00 0.00 C ATOM 1440 CG LEU A 92 -2.314 -6.120 3.981 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -3.420 -6.199 5.020 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -2.270 -4.743 3.332 1.00 0.00 C ATOM 0 H LEU A 92 1.360 -7.963 4.972 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.376 -7.906 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.813 -5.622 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.189 -6.185 3.868 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.527 -6.882 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.383 -6.019 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.421 -7.189 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.251 -5.445 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.230 -4.532 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.065 -3.989 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.483 -4.721 2.578 1.00 0.00 H new ATOM 1454 N SER A 93 -1.970 -9.649 4.470 1.00 0.00 N ATOM 1455 CA SER A 93 -2.257 -10.831 3.660 1.00 0.00 C ATOM 1456 C SER A 93 -2.561 -10.573 2.196 1.00 0.00 C ATOM 1457 O SER A 93 -2.369 -11.464 1.371 1.00 0.00 O ATOM 1458 CB SER A 93 -3.463 -11.568 4.176 1.00 0.00 C ATOM 1459 OG SER A 93 -4.611 -10.797 3.951 1.00 0.00 O ATOM 0 H SER A 93 -2.639 -9.488 5.223 1.00 0.00 H new ATOM 0 HA SER A 93 -1.328 -11.395 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.555 -12.532 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.351 -11.771 5.241 1.00 0.00 H new ATOM 0 HG SER A 93 -5.407 -11.363 4.036 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.991 -9.357 1.852 1.00 0.00 N ATOM 1466 CA ILE A 94 -3.291 -8.980 0.472 1.00 0.00 C ATOM 1467 C ILE A 94 -2.032 -9.048 -0.383 1.00 0.00 C ATOM 1468 O ILE A 94 -2.121 -9.158 -1.602 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.860 -7.548 0.364 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -4.593 -7.356 -0.960 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -2.728 -6.539 0.346 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -5.407 -6.083 -1.022 1.00 0.00 C ATOM 0 H ILE A 94 -3.141 -8.606 2.525 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.042 -9.687 0.118 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.526 -7.405 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.865 -7.352 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.252 -8.208 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.139 -5.532 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.149 -6.626 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.081 -6.733 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.900 -6.013 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.159 -6.093 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.750 -5.224 -0.887 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.857 -8.973 0.244 1.00 0.00 N ATOM 1485 CA LEU A 95 0.405 -9.009 -0.460 1.00 0.00 C ATOM 1486 C LEU A 95 0.913 -10.442 -0.654 1.00 0.00 C ATOM 1487 O LEU A 95 1.939 -10.654 -1.301 1.00 0.00 O ATOM 1488 CB LEU A 95 1.414 -8.167 0.328 1.00 0.00 C ATOM 1489 CG LEU A 95 1.001 -6.693 0.466 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.007 -5.940 1.325 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.874 -6.090 -0.924 1.00 0.00 C ATOM 0 H LEU A 95 -0.764 -8.886 1.256 1.00 0.00 H new ATOM 0 HA LEU A 95 0.271 -8.597 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.537 -8.597 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.385 -8.220 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 95 0.036 -6.616 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.701 -4.898 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.049 -6.392 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.992 -5.991 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.581 -5.043 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.832 -6.159 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.118 -6.635 -1.489 1.00 0.00 H new ATOM 1503 N THR A 96 0.205 -11.425 -0.090 1.00 0.00 N ATOM 1504 CA THR A 96 0.574 -12.830 -0.162 1.00 0.00 C ATOM 1505 C THR A 96 -0.667 -13.626 -0.567 1.00 0.00 C ATOM 1506 O THR A 96 -1.192 -13.455 -1.667 1.00 0.00 O ATOM 1507 CB THR A 96 1.119 -13.388 1.168 1.00 0.00 C ATOM 1508 OG1 THR A 96 0.098 -13.296 2.168 1.00 0.00 O ATOM 1509 CG2 THR A 96 2.336 -12.602 1.637 1.00 0.00 C ATOM 0 H THR A 96 -0.653 -11.258 0.436 1.00 0.00 H new ATOM 0 HA THR A 96 1.377 -12.924 -0.892 1.00 0.00 H new ATOM 0 HB THR A 96 1.413 -14.426 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.567 -12.630 1.896 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.698 -13.019 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.122 -12.666 0.885 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.060 -11.558 1.785 1.00 0.00 H new ATOM 1517 N GLU A 97 -1.135 -14.476 0.351 1.00 0.00 N ATOM 1518 CA GLU A 97 -2.223 -15.428 0.141 1.00 0.00 C ATOM 1519 C GLU A 97 -3.581 -14.860 -0.254 1.00 0.00 C ATOM 1520 O GLU A 97 -4.342 -15.555 -0.927 1.00 0.00 O ATOM 1521 CB GLU A 97 -2.414 -16.243 1.422 1.00 0.00 C ATOM 1522 CG GLU A 97 -1.270 -17.196 1.733 1.00 0.00 C ATOM 1523 CD GLU A 97 -1.466 -17.951 3.019 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -2.411 -17.669 3.720 1.00 0.00 O ATOM 1525 OE2 GLU A 97 -0.667 -18.812 3.303 1.00 0.00 O ATOM 0 H GLU A 97 -0.751 -14.520 1.295 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.900 -16.014 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.538 -15.557 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.337 -16.817 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.164 -17.907 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.339 -16.632 1.788 1.00 0.00 H new ATOM 1532 N ASP A 98 -3.906 -13.631 0.134 1.00 0.00 N ATOM 1533 CA ASP A 98 -5.197 -13.087 -0.258 1.00 0.00 C ATOM 1534 C ASP A 98 -5.128 -12.273 -1.551 1.00 0.00 C ATOM 1535 O ASP A 98 -6.127 -11.664 -1.937 1.00 0.00 O ATOM 1536 CB ASP A 98 -5.805 -12.252 0.875 1.00 0.00 C ATOM 1537 CG ASP A 98 -6.229 -13.113 2.068 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -6.545 -14.260 1.847 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -6.245 -12.634 3.180 1.00 0.00 O ATOM 0 H ASP A 98 -3.319 -13.015 0.697 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.847 -13.939 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.079 -11.509 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.670 -11.707 0.498 1.00 0.00 H new ATOM 1544 N TRP A 99 -3.972 -12.240 -2.222 1.00 0.00 N ATOM 1545 CA TRP A 99 -3.885 -11.520 -3.485 1.00 0.00 C ATOM 1546 C TRP A 99 -4.668 -12.224 -4.590 1.00 0.00 C ATOM 1547 O TRP A 99 -4.702 -13.452 -4.675 1.00 0.00 O ATOM 1548 CB TRP A 99 -2.450 -11.335 -3.979 1.00 0.00 C ATOM 1549 CG TRP A 99 -2.445 -10.550 -5.262 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -2.253 -11.070 -6.505 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -2.668 -9.126 -5.459 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -2.346 -10.083 -7.445 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -2.595 -8.890 -6.833 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -2.930 -8.050 -4.603 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -2.768 -7.629 -7.378 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -3.102 -6.783 -5.145 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -3.021 -6.577 -6.498 1.00 0.00 C ATOM 0 H TRP A 99 -3.109 -12.691 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.314 -10.541 -3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -1.860 -10.816 -3.223 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.982 -12.307 -4.136 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.056 -12.110 -6.717 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.245 -10.218 -8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.997 -8.203 -3.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -2.709 -7.466 -8.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -3.303 -5.947 -4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -3.156 -5.580 -6.890 1.00 0.00 H new ATOM 1568 N SER A 100 -5.283 -11.414 -5.438 1.00 0.00 N ATOM 1569 CA SER A 100 -6.066 -11.836 -6.582 1.00 0.00 C ATOM 1570 C SER A 100 -5.928 -10.817 -7.702 1.00 0.00 C ATOM 1571 O SER A 100 -5.803 -9.632 -7.408 1.00 0.00 O ATOM 1572 CB SER A 100 -7.534 -11.960 -6.224 1.00 0.00 C ATOM 1573 OG SER A 100 -8.307 -12.248 -7.360 1.00 0.00 O ATOM 0 H SER A 100 -5.246 -10.399 -5.340 1.00 0.00 H new ATOM 0 HA SER A 100 -5.693 -12.809 -6.902 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.666 -12.747 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.881 -11.032 -5.770 1.00 0.00 H new ATOM 0 HG SER A 100 -9.250 -12.325 -7.103 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.934 -11.232 -8.978 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.926 -10.366 -10.147 1.00 0.00 C ATOM 1581 C PRO A 101 -7.043 -9.324 -10.156 1.00 0.00 C ATOM 1582 O PRO A 101 -6.929 -8.293 -10.819 1.00 0.00 O ATOM 1583 CB PRO A 101 -6.063 -11.393 -11.275 1.00 0.00 C ATOM 1584 CG PRO A 101 -5.428 -12.639 -10.721 1.00 0.00 C ATOM 1585 CD PRO A 101 -5.743 -12.662 -9.246 1.00 0.00 C ATOM 0 HA PRO A 101 -5.037 -9.738 -10.213 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.108 -11.561 -11.535 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.558 -11.058 -12.181 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.821 -13.527 -11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.351 -12.632 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.636 -13.246 -9.024 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.930 -13.087 -8.657 1.00 0.00 H new ATOM 1593 N ALA A 102 -8.131 -9.601 -9.432 1.00 0.00 N ATOM 1594 CA ALA A 102 -9.249 -8.679 -9.297 1.00 0.00 C ATOM 1595 C ALA A 102 -8.920 -7.508 -8.362 1.00 0.00 C ATOM 1596 O ALA A 102 -9.661 -6.524 -8.332 1.00 0.00 O ATOM 1597 CB ALA A 102 -10.464 -9.425 -8.773 1.00 0.00 C ATOM 0 H ALA A 102 -8.256 -10.476 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.458 -8.265 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.300 -8.733 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.732 -10.219 -9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.233 -9.859 -7.800 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.833 -7.605 -7.596 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.435 -6.561 -6.667 1.00 0.00 C ATOM 1605 C LEU A 103 -6.507 -5.558 -7.329 1.00 0.00 C ATOM 1606 O LEU A 103 -5.753 -5.888 -8.246 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.753 -7.179 -5.452 1.00 0.00 C ATOM 1608 CG LEU A 103 -7.634 -8.163 -4.686 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -6.832 -8.764 -3.553 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -8.863 -7.438 -4.166 1.00 0.00 C ATOM 0 H LEU A 103 -7.208 -8.411 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.333 -6.031 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.848 -7.692 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.442 -6.382 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.965 -8.968 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.454 -9.468 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.965 -9.286 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.498 -7.972 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.494 -8.138 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.555 -6.631 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.423 -7.024 -5.004 1.00 0.00 H new ATOM 1622 N SER A 104 -6.595 -4.324 -6.850 1.00 0.00 N ATOM 1623 CA SER A 104 -5.839 -3.183 -7.348 1.00 0.00 C ATOM 1624 C SER A 104 -4.788 -2.581 -6.415 1.00 0.00 C ATOM 1625 O SER A 104 -4.614 -3.018 -5.274 1.00 0.00 O ATOM 1626 CB SER A 104 -6.851 -2.106 -7.657 1.00 0.00 C ATOM 1627 OG SER A 104 -7.401 -1.621 -6.464 1.00 0.00 O ATOM 0 H SER A 104 -7.216 -4.082 -6.078 1.00 0.00 H new ATOM 0 HA SER A 104 -5.267 -3.552 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.376 -1.294 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.638 -2.506 -8.296 1.00 0.00 H new ATOM 0 HG SER A 104 -8.319 -1.319 -6.626 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.099 -1.566 -6.938 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.135 -0.761 -6.194 1.00 0.00 C ATOM 1635 C VAL A 105 -3.853 -0.093 -5.031 1.00 0.00 C ATOM 1636 O VAL A 105 -3.377 -0.161 -3.896 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.487 0.302 -7.117 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -1.662 1.318 -6.342 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.564 -0.401 -8.098 1.00 0.00 C ATOM 0 H VAL A 105 -4.199 -1.276 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.338 -1.401 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.294 0.832 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.230 2.040 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.301 1.837 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.863 0.805 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.101 0.336 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.789 -0.936 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.139 -1.108 -8.696 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.002 0.529 -5.311 1.00 0.00 N ATOM 1650 CA GLN A 106 -5.766 1.159 -4.247 1.00 0.00 C ATOM 1651 C GLN A 106 -6.401 0.138 -3.314 1.00 0.00 C ATOM 1652 O GLN A 106 -6.714 0.483 -2.181 1.00 0.00 O ATOM 1653 CB GLN A 106 -6.882 2.054 -4.784 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.020 1.306 -5.452 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.130 2.195 -5.975 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -9.568 3.139 -5.314 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -9.600 1.887 -7.178 1.00 0.00 N ATOM 0 H GLN A 106 -5.410 0.606 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.042 1.763 -3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.285 2.644 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.455 2.756 -5.500 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.618 0.722 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.443 0.599 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.209 1.097 -7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.352 2.440 -7.589 1.00 0.00 H new ATOM 1666 N SER A 107 -6.600 -1.110 -3.756 1.00 0.00 N ATOM 1667 CA SER A 107 -7.126 -2.132 -2.853 1.00 0.00 C ATOM 1668 C SER A 107 -6.120 -2.318 -1.727 1.00 0.00 C ATOM 1669 O SER A 107 -6.503 -2.442 -0.561 1.00 0.00 O ATOM 1670 CB SER A 107 -7.330 -3.472 -3.544 1.00 0.00 C ATOM 1671 OG SER A 107 -8.290 -3.407 -4.565 1.00 0.00 O ATOM 0 H SER A 107 -6.410 -1.427 -4.707 1.00 0.00 H new ATOM 0 HA SER A 107 -8.098 -1.799 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.382 -3.810 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.637 -4.215 -2.807 1.00 0.00 H new ATOM 0 HG SER A 107 -8.068 -2.675 -5.177 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.836 -2.343 -2.102 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.761 -2.469 -1.128 1.00 0.00 C ATOM 1679 C VAL A 108 -3.674 -1.232 -0.248 1.00 0.00 C ATOM 1680 O VAL A 108 -3.529 -1.372 0.965 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.394 -2.674 -1.795 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.338 -2.630 -0.706 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.357 -3.979 -2.572 1.00 0.00 C ATOM 0 H VAL A 108 -4.523 -2.278 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.001 -3.346 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.201 -1.885 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.352 -2.773 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.373 -1.663 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.529 -3.422 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.377 -4.099 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.543 -4.812 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.124 -3.963 -3.346 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.753 -0.041 -0.848 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.686 1.205 -0.085 1.00 0.00 C ATOM 1695 C CYS A 109 -4.796 1.319 0.945 1.00 0.00 C ATOM 1696 O CYS A 109 -4.538 1.682 2.092 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.794 2.421 -1.006 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.363 2.713 -2.060 1.00 0.00 S ATOM 0 H CYS A 109 -3.863 0.085 -1.854 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.721 1.184 0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.673 2.301 -1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.961 3.307 -0.394 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.726 2.663 -3.307 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.018 1.015 0.523 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.187 1.049 1.383 1.00 0.00 C ATOM 1706 C LEU A 110 -7.088 -0.013 2.469 1.00 0.00 C ATOM 1707 O LEU A 110 -7.541 0.229 3.590 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.445 0.848 0.529 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.786 2.008 -0.424 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.917 1.592 -1.356 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.199 3.220 0.392 1.00 0.00 C ATOM 0 H LEU A 110 -6.223 0.736 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.244 2.018 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.322 -0.061 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.293 0.685 1.194 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.912 2.260 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.156 2.416 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.607 0.725 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.798 1.337 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.442 4.045 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.073 2.973 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.379 3.514 1.047 1.00 0.00 H new ATOM 1723 N SER A 111 -6.520 -1.180 2.138 1.00 0.00 N ATOM 1724 CA SER A 111 -6.317 -2.228 3.127 1.00 0.00 C ATOM 1725 C SER A 111 -5.359 -1.734 4.208 1.00 0.00 C ATOM 1726 O SER A 111 -5.630 -1.952 5.390 1.00 0.00 O ATOM 1727 CB SER A 111 -5.784 -3.484 2.464 1.00 0.00 C ATOM 1728 OG SER A 111 -6.730 -4.024 1.582 1.00 0.00 O ATOM 0 H SER A 111 -6.198 -1.414 1.199 1.00 0.00 H new ATOM 0 HA SER A 111 -7.272 -2.473 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.867 -3.253 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.528 -4.221 3.225 1.00 0.00 H new ATOM 0 HG SER A 111 -6.572 -3.676 0.680 1.00 0.00 H new ATOM 1734 N ILE A 112 -4.284 -1.056 3.801 1.00 0.00 N ATOM 1735 CA ILE A 112 -3.317 -0.450 4.711 1.00 0.00 C ATOM 1736 C ILE A 112 -3.982 0.602 5.580 1.00 0.00 C ATOM 1737 O ILE A 112 -3.662 0.689 6.763 1.00 0.00 O ATOM 1738 CB ILE A 112 -2.116 0.108 3.936 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -1.353 -1.096 3.381 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -1.244 0.998 4.815 1.00 0.00 C ATOM 1741 CD1 ILE A 112 -0.317 -0.751 2.353 1.00 0.00 C ATOM 0 H ILE A 112 -4.060 -0.912 2.816 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.935 -1.221 5.380 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.443 0.752 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.869 -1.616 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.067 -1.792 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.404 1.374 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.835 1.837 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.869 0.420 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.176 -1.662 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.795 -0.259 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.422 -0.081 2.792 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.861 1.419 5.006 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.606 2.372 5.813 1.00 0.00 C ATOM 1755 C ILE A 113 -6.428 1.665 6.880 1.00 0.00 C ATOM 1756 O ILE A 113 -6.475 2.147 8.013 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.541 3.249 4.970 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.714 4.188 4.100 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.481 4.022 5.879 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.521 4.888 3.036 1.00 0.00 C ATOM 0 H ILE A 113 -5.070 1.440 4.008 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.861 3.013 6.284 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.146 2.621 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.239 4.936 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.915 3.620 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.142 4.643 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.076 3.323 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.900 4.656 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.869 5.540 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.974 4.147 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.304 5.483 3.506 1.00 0.00 H new ATOM 1772 N SER A 114 -7.105 0.563 6.530 1.00 0.00 N ATOM 1773 CA SER A 114 -7.867 -0.133 7.559 1.00 0.00 C ATOM 1774 C SER A 114 -6.939 -0.753 8.603 1.00 0.00 C ATOM 1775 O SER A 114 -7.339 -0.851 9.766 1.00 0.00 O ATOM 1776 CB SER A 114 -8.732 -1.231 6.973 1.00 0.00 C ATOM 1777 OG SER A 114 -7.957 -2.309 6.527 1.00 0.00 O ATOM 0 H SER A 114 -7.139 0.157 5.595 1.00 0.00 H new ATOM 0 HA SER A 114 -8.507 0.614 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.442 -1.577 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.316 -0.833 6.143 1.00 0.00 H new ATOM 0 HG SER A 114 -7.306 -1.993 5.866 1.00 0.00 H new ATOM 1783 N MET A 115 -5.714 -1.129 8.210 1.00 0.00 N ATOM 1784 CA MET A 115 -4.743 -1.640 9.170 1.00 0.00 C ATOM 1785 C MET A 115 -4.441 -0.551 10.171 1.00 0.00 C ATOM 1786 O MET A 115 -4.440 -0.796 11.379 1.00 0.00 O ATOM 1787 CB MET A 115 -3.406 -2.045 8.538 1.00 0.00 C ATOM 1788 CG MET A 115 -3.369 -3.257 7.631 1.00 0.00 C ATOM 1789 SD MET A 115 -1.741 -3.430 6.873 1.00 0.00 S ATOM 1790 CE MET A 115 -0.712 -3.950 8.244 1.00 0.00 C ATOM 0 H MET A 115 -5.381 -1.088 7.247 1.00 0.00 H new ATOM 0 HA MET A 115 -5.189 -2.528 9.618 1.00 0.00 H new ATOM 0 HB2 MET A 115 -3.039 -1.193 7.966 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.696 -2.216 9.347 1.00 0.00 H new ATOM 0 HG2 MET A 115 -3.607 -4.154 8.203 1.00 0.00 H new ATOM 0 HG3 MET A 115 -4.129 -3.162 6.856 1.00 0.00 H new ATOM 0 HE1 MET A 115 0.258 -4.275 7.868 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.574 -3.116 8.932 1.00 0.00 H new ATOM 0 HE3 MET A 115 -1.193 -4.776 8.767 1.00 0.00 H new ATOM 1800 N LEU A 116 -4.184 0.649 9.665 1.00 0.00 N ATOM 1801 CA LEU A 116 -3.875 1.780 10.514 1.00 0.00 C ATOM 1802 C LEU A 116 -5.049 2.129 11.429 1.00 0.00 C ATOM 1803 O LEU A 116 -4.841 2.413 12.609 1.00 0.00 O ATOM 1804 CB LEU A 116 -3.497 2.966 9.620 1.00 0.00 C ATOM 1805 CG LEU A 116 -2.172 2.821 8.855 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -2.030 3.989 7.893 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -1.009 2.769 9.832 1.00 0.00 C ATOM 0 H LEU A 116 -4.185 0.859 8.667 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.038 1.528 11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.298 3.124 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.443 3.862 10.238 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.168 1.892 8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.093 3.897 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.864 3.985 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.032 4.924 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.075 2.666 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.985 3.688 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.132 1.916 10.499 1.00 0.00 H new ATOM 1819 N SER A 117 -6.288 2.059 10.932 1.00 0.00 N ATOM 1820 CA SER A 117 -7.427 2.372 11.792 1.00 0.00 C ATOM 1821 C SER A 117 -7.632 1.329 12.887 1.00 0.00 C ATOM 1822 O SER A 117 -8.203 1.641 13.934 1.00 0.00 O ATOM 1823 CB SER A 117 -8.712 2.438 10.995 1.00 0.00 C ATOM 1824 OG SER A 117 -9.115 1.158 10.595 1.00 0.00 O ATOM 0 H SER A 117 -6.521 1.798 9.974 1.00 0.00 H new ATOM 0 HA SER A 117 -7.197 3.338 12.242 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.495 2.899 11.597 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.570 3.070 10.118 1.00 0.00 H new ATOM 0 HG SER A 117 -8.329 0.634 10.333 1.00 0.00 H new ATOM 1830 N SER A 118 -7.178 0.093 12.653 1.00 0.00 N ATOM 1831 CA SER A 118 -7.283 -0.955 13.661 1.00 0.00 C ATOM 1832 C SER A 118 -6.223 -0.848 14.755 1.00 0.00 C ATOM 1833 O SER A 118 -6.335 -1.544 15.765 1.00 0.00 O ATOM 1834 CB SER A 118 -7.146 -2.336 13.047 1.00 0.00 C ATOM 1835 OG SER A 118 -5.823 -2.616 12.678 1.00 0.00 O ATOM 0 H SER A 118 -6.739 -0.200 11.780 1.00 0.00 H new ATOM 0 HA SER A 118 -8.271 -0.815 14.099 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.490 -3.086 13.759 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.790 -2.409 12.171 1.00 0.00 H new ATOM 0 HG SER A 118 -5.440 -1.840 12.218 1.00 0.00 H new