USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 630 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0.397 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.05 K(o=2.2,f=0.17) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.701) USER MOD Set 3.1: A 34 MET CE :methyl 149:sc= -0.465 (180deg=-1.44) USER MOD Set 3.2: A 43 MET CE :methyl -147:sc=-0.00269 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.036) USER MOD Single : A -2 GLY N :NH3+ -116:sc= 0.0426 (180deg=0) USER MOD Single : A 41 SER OG : rot 84:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.16) USER MOD Single : A 50 SER OG : rot 76:sc= 0.0036 USER MOD Single : A 51 HIS : no HD1:sc= 0.904 K(o=0.9,f=-3.8!) USER MOD Single : A 53 ASN : amide:sc= 0.395 X(o=0.39,f=-0.026) USER MOD Single : A 61 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 64 TYR OH : rot 50:sc= -0.347 USER MOD Single : A 66 SER OG : rot 66:sc= 0.212 USER MOD Single : A 68 THR OG1 : rot -168:sc= 0.918 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.818! C(o=-0.82!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.213 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 82:sc= 1.3 USER MOD Single : A 105 CYS SG : rot 75:sc= -1.36! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 5.892 1.666 -0.786 1.00 0.00 N ATOM 2 CA GLY A -2 5.707 0.245 -0.412 1.00 0.00 C ATOM 3 C GLY A -2 4.669 -0.463 -1.286 1.00 0.00 C ATOM 4 O GLY A -2 3.911 0.175 -2.024 1.00 0.00 O ATOM 0 H1 GLY A -2 6.863 1.811 -1.129 1.00 0.00 H new ATOM 0 H2 GLY A -2 5.218 1.918 -1.537 1.00 0.00 H new ATOM 0 H3 GLY A -2 5.724 2.268 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.661 -0.276 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A -2 5.399 0.185 0.632 1.00 0.00 H new ATOM 10 N HIS A -1 4.616 -1.798 -1.195 1.00 0.00 N ATOM 11 CA HIS A -1 3.656 -2.647 -1.910 1.00 0.00 C ATOM 12 C HIS A -1 3.327 -3.858 -1.037 1.00 0.00 C ATOM 13 O HIS A -1 4.144 -4.256 -0.197 1.00 0.00 O ATOM 14 CB HIS A -1 4.252 -3.077 -3.254 1.00 0.00 C ATOM 15 CG HIS A -1 3.260 -3.813 -4.121 1.00 0.00 C ATOM 16 ND1 HIS A -1 2.026 -3.315 -4.549 1.00 0.00 N ATOM 17 CD2 HIS A -1 3.422 -5.074 -4.609 1.00 0.00 C ATOM 18 CE1 HIS A -1 1.483 -4.288 -5.300 1.00 0.00 C ATOM 19 NE2 HIS A -1 2.301 -5.354 -5.356 1.00 0.00 N ATOM 0 H HIS A -1 5.257 -2.331 -0.607 1.00 0.00 H new ATOM 0 HA HIS A -1 2.736 -2.098 -2.111 1.00 0.00 H new ATOM 0 HB2 HIS A -1 4.611 -2.196 -3.786 1.00 0.00 H new ATOM 0 HB3 HIS A -1 5.117 -3.716 -3.076 1.00 0.00 H new ATOM 0 HD2 HIS A -1 4.266 -5.727 -4.442 1.00 0.00 H new ATOM 0 HE1 HIS A -1 0.523 -4.223 -5.791 1.00 0.00 H new ATOM 0 HE2 HIS A -1 2.121 -6.220 -5.864 1.00 0.00 H new ATOM 27 N MET A 34 2.131 -4.427 -1.211 1.00 0.00 N ATOM 28 CA MET A 34 1.686 -5.594 -0.449 1.00 0.00 C ATOM 29 C MET A 34 2.524 -6.831 -0.823 1.00 0.00 C ATOM 30 O MET A 34 2.968 -6.974 -1.967 1.00 0.00 O ATOM 31 CB MET A 34 0.199 -5.870 -0.732 1.00 0.00 C ATOM 32 CG MET A 34 -0.757 -4.789 -0.207 1.00 0.00 C ATOM 33 SD MET A 34 -1.556 -3.736 -1.460 1.00 0.00 S ATOM 34 CE MET A 34 -3.097 -4.653 -1.812 1.00 0.00 C ATOM 0 H MET A 34 1.444 -4.090 -1.885 1.00 0.00 H new ATOM 0 HA MET A 34 1.818 -5.387 0.613 1.00 0.00 H new ATOM 0 HB2 MET A 34 0.059 -5.970 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.072 -6.826 -0.285 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.537 -5.277 0.377 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.203 -4.146 0.477 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.885 -3.950 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.929 -5.344 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.398 -5.213 -0.926 1.00 0.00 H new ATOM 44 N LEU A 35 2.720 -7.737 0.142 1.00 0.00 N ATOM 45 CA LEU A 35 3.293 -9.070 -0.107 1.00 0.00 C ATOM 46 C LEU A 35 2.210 -9.912 -0.793 1.00 0.00 C ATOM 47 O LEU A 35 1.050 -9.518 -0.756 1.00 0.00 O ATOM 48 CB LEU A 35 3.725 -9.732 1.216 1.00 0.00 C ATOM 49 CG LEU A 35 4.790 -8.955 2.017 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.124 -9.723 3.300 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.072 -8.718 1.214 1.00 0.00 C ATOM 0 H LEU A 35 2.486 -7.569 1.120 1.00 0.00 H new ATOM 0 HA LEU A 35 4.179 -8.991 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.844 -9.863 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.111 -10.728 0.997 1.00 0.00 H new ATOM 0 HG LEU A 35 4.370 -7.977 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.877 -9.175 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.223 -9.832 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.510 -10.709 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.787 -8.167 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.503 -9.677 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.839 -8.141 0.319 1.00 0.00 H new ATOM 63 N GLU A 36 2.524 -11.072 -1.382 1.00 0.00 N ATOM 64 CA GLU A 36 1.547 -11.809 -2.199 1.00 0.00 C ATOM 65 C GLU A 36 0.305 -12.161 -1.392 1.00 0.00 C ATOM 66 O GLU A 36 -0.802 -11.780 -1.767 1.00 0.00 O ATOM 67 CB GLU A 36 2.179 -13.056 -2.843 1.00 0.00 C ATOM 68 CG GLU A 36 1.197 -13.825 -3.737 1.00 0.00 C ATOM 69 CD GLU A 36 1.914 -14.960 -4.490 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.435 -14.721 -5.606 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.962 -16.101 -3.970 1.00 0.00 O ATOM 0 H GLU A 36 3.438 -11.519 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 36 1.232 -11.152 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.043 -12.755 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.545 -13.719 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.392 -14.238 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.738 -13.142 -4.452 1.00 0.00 H new ATOM 78 N ALA A 37 0.488 -12.834 -0.255 1.00 0.00 N ATOM 79 CA ALA A 37 -0.647 -13.281 0.542 1.00 0.00 C ATOM 80 C ALA A 37 -1.421 -12.090 1.136 1.00 0.00 C ATOM 81 O ALA A 37 -2.644 -12.154 1.289 1.00 0.00 O ATOM 82 CB ALA A 37 -0.206 -14.266 1.629 1.00 0.00 C ATOM 0 H ALA A 37 1.401 -13.078 0.128 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.330 -13.811 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.074 -14.582 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.257 -15.137 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.513 -13.781 2.289 1.00 0.00 H new ATOM 88 N ASP A 38 -0.728 -10.992 1.444 1.00 0.00 N ATOM 89 CA ASP A 38 -1.346 -9.771 1.965 1.00 0.00 C ATOM 90 C ASP A 38 -2.161 -9.059 0.880 1.00 0.00 C ATOM 91 O ASP A 38 -3.272 -8.601 1.140 1.00 0.00 O ATOM 92 CB ASP A 38 -0.259 -8.842 2.515 1.00 0.00 C ATOM 93 CG ASP A 38 -0.865 -7.622 3.213 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.580 -7.801 4.226 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.624 -6.478 2.761 1.00 0.00 O ATOM 0 H ASP A 38 0.284 -10.925 1.338 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.030 -10.042 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.368 -9.390 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.387 -8.513 1.701 1.00 0.00 H new ATOM 100 N LEU A 39 -1.642 -9.026 -0.355 1.00 0.00 N ATOM 101 CA LEU A 39 -2.278 -8.417 -1.516 1.00 0.00 C ATOM 102 C LEU A 39 -3.599 -9.105 -1.778 1.00 0.00 C ATOM 103 O LEU A 39 -4.637 -8.445 -1.836 1.00 0.00 O ATOM 104 CB LEU A 39 -1.354 -8.522 -2.754 1.00 0.00 C ATOM 105 CG LEU A 39 -1.919 -7.911 -4.060 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.770 -7.382 -4.921 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.735 -8.892 -4.916 1.00 0.00 C ATOM 0 H LEU A 39 -0.735 -9.439 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.457 -7.360 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.409 -8.031 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.132 -9.574 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.594 -7.117 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.171 -6.953 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.225 -6.615 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.094 -8.200 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.093 -8.383 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.105 -9.734 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.586 -9.256 -4.341 1.00 0.00 H new ATOM 119 N VAL A 40 -3.554 -10.427 -1.936 1.00 0.00 N ATOM 120 CA VAL A 40 -4.731 -11.191 -2.299 1.00 0.00 C ATOM 121 C VAL A 40 -5.765 -11.079 -1.177 1.00 0.00 C ATOM 122 O VAL A 40 -6.931 -10.840 -1.478 1.00 0.00 O ATOM 123 CB VAL A 40 -4.350 -12.630 -2.715 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.355 -12.592 -3.893 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.772 -13.447 -1.558 1.00 0.00 C ATOM 0 H VAL A 40 -2.709 -10.986 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.207 -10.779 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.268 -13.129 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.092 -13.610 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.814 -12.083 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.455 -12.056 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.523 -14.449 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.872 -12.960 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.509 -13.516 -0.758 1.00 0.00 H new ATOM 135 N SER A 41 -5.356 -11.128 0.098 1.00 0.00 N ATOM 136 CA SER A 41 -6.281 -11.030 1.223 1.00 0.00 C ATOM 137 C SER A 41 -6.943 -9.652 1.305 1.00 0.00 C ATOM 138 O SER A 41 -8.165 -9.582 1.427 1.00 0.00 O ATOM 139 CB SER A 41 -5.570 -11.378 2.540 1.00 0.00 C ATOM 140 OG SER A 41 -5.031 -12.689 2.480 1.00 0.00 O ATOM 0 H SER A 41 -4.380 -11.236 0.372 1.00 0.00 H new ATOM 0 HA SER A 41 -7.076 -11.756 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.774 -10.659 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.272 -11.304 3.370 1.00 0.00 H new ATOM 0 HG SER A 41 -4.152 -12.662 2.047 1.00 0.00 H new ATOM 146 N LYS A 42 -6.192 -8.548 1.202 1.00 0.00 N ATOM 147 CA LYS A 42 -6.782 -7.204 1.283 1.00 0.00 C ATOM 148 C LYS A 42 -7.674 -6.942 0.080 1.00 0.00 C ATOM 149 O LYS A 42 -8.761 -6.407 0.256 1.00 0.00 O ATOM 150 CB LYS A 42 -5.680 -6.136 1.388 1.00 0.00 C ATOM 151 CG LYS A 42 -5.115 -6.054 2.815 1.00 0.00 C ATOM 152 CD LYS A 42 -3.901 -5.117 2.854 1.00 0.00 C ATOM 153 CE LYS A 42 -3.339 -5.030 4.281 1.00 0.00 C ATOM 154 NZ LYS A 42 -1.942 -4.532 4.290 1.00 0.00 N ATOM 0 H LYS A 42 -5.182 -8.557 1.063 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.396 -7.149 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.877 -6.370 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.082 -5.166 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.884 -5.692 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.827 -7.048 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.131 -5.481 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.188 -4.124 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.965 -4.368 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.378 -6.014 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.556 -4.598 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.364 -5.108 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.925 -3.540 3.978 1.00 0.00 H new ATOM 168 N MET A 43 -7.268 -7.326 -1.130 1.00 0.00 N ATOM 169 CA MET A 43 -8.094 -7.077 -2.309 1.00 0.00 C ATOM 170 C MET A 43 -9.347 -7.958 -2.282 1.00 0.00 C ATOM 171 O MET A 43 -10.437 -7.446 -2.518 1.00 0.00 O ATOM 172 CB MET A 43 -7.263 -7.245 -3.589 1.00 0.00 C ATOM 173 CG MET A 43 -6.224 -6.118 -3.733 1.00 0.00 C ATOM 174 SD MET A 43 -5.487 -5.999 -5.386 1.00 0.00 S ATOM 175 CE MET A 43 -4.322 -4.630 -5.169 1.00 0.00 C ATOM 0 H MET A 43 -6.386 -7.803 -1.318 1.00 0.00 H new ATOM 0 HA MET A 43 -8.443 -6.044 -2.298 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.756 -8.210 -3.572 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.923 -7.247 -4.456 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.698 -5.167 -3.489 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.430 -6.275 -3.003 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.243 -4.069 -6.100 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.678 -3.971 -4.377 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.343 -5.025 -4.899 1.00 0.00 H new ATOM 185 N LEU A 44 -9.234 -9.236 -1.895 1.00 0.00 N ATOM 186 CA LEU A 44 -10.371 -10.124 -1.621 1.00 0.00 C ATOM 187 C LEU A 44 -11.352 -9.422 -0.687 1.00 0.00 C ATOM 188 O LEU A 44 -12.519 -9.219 -1.024 1.00 0.00 O ATOM 189 CB LEU A 44 -9.837 -11.425 -0.981 1.00 0.00 C ATOM 190 CG LEU A 44 -10.882 -12.354 -0.360 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.719 -13.011 -1.452 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.203 -13.422 0.495 1.00 0.00 C ATOM 0 H LEU A 44 -8.331 -9.690 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.895 -10.369 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.293 -11.983 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.117 -11.156 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.538 -11.761 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.459 -13.670 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.227 -12.242 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.070 -13.592 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.960 -14.075 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.529 -14.011 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.635 -12.943 1.293 1.00 0.00 H new ATOM 204 N ARG A 45 -10.851 -9.008 0.474 1.00 0.00 N ATOM 205 CA ARG A 45 -11.596 -8.275 1.484 1.00 0.00 C ATOM 206 C ARG A 45 -12.262 -7.048 0.891 1.00 0.00 C ATOM 207 O ARG A 45 -13.434 -6.828 1.163 1.00 0.00 O ATOM 208 CB ARG A 45 -10.611 -7.980 2.623 1.00 0.00 C ATOM 209 CG ARG A 45 -11.013 -6.880 3.608 1.00 0.00 C ATOM 210 CD ARG A 45 -10.479 -5.489 3.231 1.00 0.00 C ATOM 211 NE ARG A 45 -10.417 -4.687 4.455 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.566 -3.368 4.608 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.537 -2.537 3.564 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.749 -2.906 5.836 1.00 0.00 N ATOM 0 H ARG A 45 -9.882 -9.181 0.743 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.429 -8.853 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.455 -8.901 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.652 -7.709 2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.101 -6.838 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.649 -7.143 4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.492 -5.569 2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.131 -5.016 2.497 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.234 -5.209 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.399 -2.905 2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.653 -1.534 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.772 -3.551 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.867 -1.905 5.992 1.00 0.00 H new ATOM 228 N ALA A 46 -11.564 -6.259 0.079 1.00 0.00 N ATOM 229 CA ALA A 46 -12.119 -5.019 -0.426 1.00 0.00 C ATOM 230 C ALA A 46 -13.278 -5.285 -1.387 1.00 0.00 C ATOM 231 O ALA A 46 -14.306 -4.617 -1.276 1.00 0.00 O ATOM 232 CB ALA A 46 -11.022 -4.191 -1.100 1.00 0.00 C ATOM 0 H ALA A 46 -10.616 -6.460 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.517 -4.449 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.448 -3.261 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.240 -3.965 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.596 -4.757 -1.929 1.00 0.00 H new ATOM 238 N VAL A 47 -13.160 -6.285 -2.271 1.00 0.00 N ATOM 239 CA VAL A 47 -14.259 -6.674 -3.150 1.00 0.00 C ATOM 240 C VAL A 47 -15.455 -7.072 -2.283 1.00 0.00 C ATOM 241 O VAL A 47 -16.569 -6.609 -2.507 1.00 0.00 O ATOM 242 CB VAL A 47 -13.814 -7.810 -4.096 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.959 -8.344 -4.960 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.720 -7.320 -5.054 1.00 0.00 C ATOM 0 H VAL A 47 -12.311 -6.837 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.555 -5.840 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.449 -8.606 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.587 -9.140 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.748 -8.736 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.359 -7.537 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.420 -8.136 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.104 -6.493 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.858 -6.982 -4.479 1.00 0.00 H new ATOM 254 N LEU A 48 -15.228 -7.887 -1.251 1.00 0.00 N ATOM 255 CA LEU A 48 -16.290 -8.359 -0.369 1.00 0.00 C ATOM 256 C LEU A 48 -16.939 -7.203 0.408 1.00 0.00 C ATOM 257 O LEU A 48 -18.146 -7.238 0.636 1.00 0.00 O ATOM 258 CB LEU A 48 -15.708 -9.377 0.624 1.00 0.00 C ATOM 259 CG LEU A 48 -15.216 -10.671 -0.038 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.255 -11.362 0.918 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.387 -11.605 -0.328 1.00 0.00 C ATOM 0 H LEU A 48 -14.302 -8.237 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.060 -8.824 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.879 -8.915 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.468 -9.624 1.365 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.722 -10.430 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.893 -12.285 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.411 -10.704 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.772 -11.592 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.018 -12.517 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.892 -11.856 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.089 -11.110 -0.999 1.00 0.00 H new ATOM 273 N GLN A 49 -16.160 -6.199 0.827 1.00 0.00 N ATOM 274 CA GLN A 49 -16.673 -5.043 1.553 1.00 0.00 C ATOM 275 C GLN A 49 -17.599 -4.210 0.663 1.00 0.00 C ATOM 276 O GLN A 49 -18.634 -3.755 1.152 1.00 0.00 O ATOM 277 CB GLN A 49 -15.522 -4.177 2.110 1.00 0.00 C ATOM 278 CG GLN A 49 -14.888 -4.736 3.401 1.00 0.00 C ATOM 279 CD GLN A 49 -15.812 -4.711 4.625 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.931 -4.198 4.593 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.368 -5.270 5.739 1.00 0.00 N ATOM 0 H GLN A 49 -15.153 -6.170 0.669 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.253 -5.411 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.748 -4.084 1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.898 -3.173 2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.573 -5.764 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.990 -4.162 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.441 -5.694 5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.953 -5.277 6.574 1.00 0.00 H new ATOM 290 N SER A 50 -17.269 -4.029 -0.621 1.00 0.00 N ATOM 291 CA SER A 50 -18.172 -3.404 -1.581 1.00 0.00 C ATOM 292 C SER A 50 -19.413 -4.281 -1.808 1.00 0.00 C ATOM 293 O SER A 50 -20.540 -3.776 -1.839 1.00 0.00 O ATOM 294 CB SER A 50 -17.437 -3.180 -2.910 1.00 0.00 C ATOM 295 OG SER A 50 -16.287 -2.363 -2.707 1.00 0.00 O ATOM 0 H SER A 50 -16.373 -4.311 -1.017 1.00 0.00 H new ATOM 0 HA SER A 50 -18.498 -2.444 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.140 -4.139 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.106 -2.706 -3.628 1.00 0.00 H new ATOM 0 HG SER A 50 -15.577 -2.895 -2.291 1.00 0.00 H new ATOM 301 N HIS A 51 -19.224 -5.597 -1.920 1.00 0.00 N ATOM 302 CA HIS A 51 -20.255 -6.536 -2.349 1.00 0.00 C ATOM 303 C HIS A 51 -20.953 -7.136 -1.127 1.00 0.00 C ATOM 304 O HIS A 51 -20.868 -8.340 -0.884 1.00 0.00 O ATOM 305 CB HIS A 51 -19.641 -7.590 -3.285 1.00 0.00 C ATOM 306 CG HIS A 51 -19.116 -7.043 -4.596 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.924 -5.695 -4.934 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.755 -7.812 -5.663 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.445 -5.702 -6.190 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.347 -6.955 -6.657 1.00 0.00 N ATOM 0 H HIS A 51 -18.332 -6.046 -1.710 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.025 -6.021 -2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.825 -8.089 -2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.394 -8.349 -3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.784 -8.890 -5.717 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.175 -4.817 -6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.026 -7.225 -7.587 1.00 0.00 H new ATOM 318 N LYS A 52 -21.649 -6.307 -0.339 1.00 0.00 N ATOM 319 CA LYS A 52 -22.351 -6.739 0.883 1.00 0.00 C ATOM 320 C LYS A 52 -23.377 -7.850 0.659 1.00 0.00 C ATOM 321 O LYS A 52 -23.630 -8.638 1.571 1.00 0.00 O ATOM 322 CB LYS A 52 -23.083 -5.552 1.526 1.00 0.00 C ATOM 323 CG LYS A 52 -22.169 -4.505 2.181 1.00 0.00 C ATOM 324 CD LYS A 52 -21.203 -5.134 3.202 1.00 0.00 C ATOM 325 CE LYS A 52 -20.613 -4.122 4.204 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.944 -2.957 3.557 1.00 0.00 N ATOM 0 H LYS A 52 -21.743 -5.310 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.569 -7.134 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.686 -5.060 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.772 -5.934 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.596 -3.992 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.780 -3.752 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.729 -5.913 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.387 -5.618 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.411 -3.758 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.893 -4.634 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.233 -2.561 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.479 -3.267 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.653 -2.229 3.334 1.00 0.00 H new ATOM 340 N ASN A 53 -23.943 -7.929 -0.549 1.00 0.00 N ATOM 341 CA ASN A 53 -24.820 -9.022 -0.975 1.00 0.00 C ATOM 342 C ASN A 53 -24.143 -10.395 -0.847 1.00 0.00 C ATOM 343 O ASN A 53 -24.829 -11.418 -0.790 1.00 0.00 O ATOM 344 CB ASN A 53 -25.221 -8.748 -2.439 1.00 0.00 C ATOM 345 CG ASN A 53 -25.965 -9.911 -3.083 1.00 0.00 C ATOM 346 OD1 ASN A 53 -27.186 -10.014 -2.989 1.00 0.00 O ATOM 347 ND2 ASN A 53 -25.250 -10.804 -3.752 1.00 0.00 N ATOM 0 H ASN A 53 -23.802 -7.222 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.697 -9.056 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.849 -7.858 -2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.325 -8.531 -3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -25.712 -11.595 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -24.237 -10.700 -3.818 1.00 0.00 H new ATOM 354 N GLY A 54 -22.811 -10.423 -0.803 1.00 0.00 N ATOM 355 CA GLY A 54 -22.012 -11.619 -0.896 1.00 0.00 C ATOM 356 C GLY A 54 -21.813 -11.994 -2.355 1.00 0.00 C ATOM 357 O GLY A 54 -22.443 -11.430 -3.256 1.00 0.00 O ATOM 0 H GLY A 54 -22.250 -9.577 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.046 -11.460 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.501 -12.436 -0.365 1.00 0.00 H new ATOM 361 N ILE A 55 -20.915 -12.949 -2.594 1.00 0.00 N ATOM 362 CA ILE A 55 -20.556 -13.430 -3.922 1.00 0.00 C ATOM 363 C ILE A 55 -20.316 -14.925 -3.803 1.00 0.00 C ATOM 364 O ILE A 55 -19.550 -15.355 -2.949 1.00 0.00 O ATOM 365 CB ILE A 55 -19.340 -12.641 -4.496 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.327 -12.125 -3.439 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.810 -11.443 -5.332 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.191 -11.242 -3.991 1.00 0.00 C ATOM 0 H ILE A 55 -20.405 -13.420 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.357 -13.258 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.815 -13.376 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.872 -11.558 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.885 -12.984 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.943 -10.909 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.422 -11.796 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.399 -10.772 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.539 -10.934 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.613 -11.807 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.616 -10.359 -4.468 1.00 0.00 H new ATOM 380 N VAL A 56 -21.022 -15.715 -4.607 1.00 0.00 N ATOM 381 CA VAL A 56 -20.894 -17.175 -4.658 1.00 0.00 C ATOM 382 C VAL A 56 -19.468 -17.551 -5.070 1.00 0.00 C ATOM 383 O VAL A 56 -18.886 -16.819 -5.855 1.00 0.00 O ATOM 384 CB VAL A 56 -21.968 -17.746 -5.616 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.370 -17.597 -5.019 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.946 -17.106 -7.015 1.00 0.00 C ATOM 0 H VAL A 56 -21.717 -15.352 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.067 -17.614 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.720 -18.801 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.106 -18.006 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.422 -18.137 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.582 -16.542 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.725 -17.554 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.124 -16.034 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.974 -17.276 -7.477 1.00 0.00 H new ATOM 396 N LEU A 57 -18.902 -18.673 -4.613 1.00 0.00 N ATOM 397 CA LEU A 57 -17.483 -19.000 -4.855 1.00 0.00 C ATOM 398 C LEU A 57 -16.956 -18.853 -6.308 1.00 0.00 C ATOM 399 O LEU A 57 -15.817 -18.408 -6.434 1.00 0.00 O ATOM 400 CB LEU A 57 -17.018 -20.313 -4.185 1.00 0.00 C ATOM 401 CG LEU A 57 -17.408 -21.640 -4.877 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.636 -22.806 -4.255 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.905 -21.970 -4.778 1.00 0.00 C ATOM 0 H LEU A 57 -19.403 -19.376 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.989 -18.180 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.932 -20.283 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.415 -20.333 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.158 -21.504 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.919 -23.735 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.566 -22.641 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.873 -22.874 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.104 -22.914 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.190 -22.055 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.485 -21.176 -5.249 1.00 0.00 H new ATOM 415 N PRO A 58 -17.684 -19.128 -7.418 1.00 0.00 N ATOM 416 CA PRO A 58 -17.151 -18.822 -8.753 1.00 0.00 C ATOM 417 C PRO A 58 -17.179 -17.315 -9.045 1.00 0.00 C ATOM 418 O PRO A 58 -16.236 -16.757 -9.602 1.00 0.00 O ATOM 419 CB PRO A 58 -18.024 -19.613 -9.733 1.00 0.00 C ATOM 420 CG PRO A 58 -19.365 -19.732 -9.010 1.00 0.00 C ATOM 421 CD PRO A 58 -18.941 -19.864 -7.549 1.00 0.00 C ATOM 0 HA PRO A 58 -16.102 -19.106 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.128 -19.094 -10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.597 -20.592 -9.949 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.993 -18.856 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.933 -20.599 -9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.702 -19.455 -6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.809 -20.911 -7.276 1.00 0.00 H new ATOM 429 N ARG A 59 -18.237 -16.621 -8.615 1.00 0.00 N ATOM 430 CA ARG A 59 -18.368 -15.169 -8.745 1.00 0.00 C ATOM 431 C ARG A 59 -17.336 -14.467 -7.869 1.00 0.00 C ATOM 432 O ARG A 59 -16.862 -13.398 -8.239 1.00 0.00 O ATOM 433 CB ARG A 59 -19.810 -14.771 -8.386 1.00 0.00 C ATOM 434 CG ARG A 59 -20.127 -13.297 -8.679 1.00 0.00 C ATOM 435 CD ARG A 59 -21.619 -12.981 -8.498 1.00 0.00 C ATOM 436 NE ARG A 59 -22.442 -13.568 -9.574 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.778 -13.513 -9.672 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.501 -12.850 -8.773 1.00 0.00 N ATOM 439 NH2 ARG A 59 -24.392 -14.131 -10.678 1.00 0.00 N ATOM 0 H ARG A 59 -19.038 -17.060 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.172 -14.857 -9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.503 -15.402 -8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.981 -14.968 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.539 -12.661 -8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.827 -13.058 -9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.956 -13.362 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.761 -11.900 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.946 -14.064 -10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.039 -12.375 -7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.517 -12.816 -8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.846 -14.644 -11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.408 -14.092 -10.756 1.00 0.00 H new ATOM 453 N LEU A 60 -16.949 -15.088 -6.746 1.00 0.00 N ATOM 454 CA LEU A 60 -15.867 -14.625 -5.895 1.00 0.00 C ATOM 455 C LEU A 60 -14.619 -14.511 -6.757 1.00 0.00 C ATOM 456 O LEU A 60 -14.076 -13.416 -6.837 1.00 0.00 O ATOM 457 CB LEU A 60 -15.675 -15.556 -4.670 1.00 0.00 C ATOM 458 CG LEU A 60 -14.614 -15.128 -3.634 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.172 -15.360 -4.091 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.798 -13.681 -3.197 1.00 0.00 C ATOM 0 H LEU A 60 -17.393 -15.941 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.098 -13.646 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.633 -15.647 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.413 -16.549 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.782 -15.782 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.486 -15.034 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.019 -16.421 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.982 -14.790 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.031 -13.421 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.712 -13.025 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.783 -13.559 -2.746 1.00 0.00 H new ATOM 472 N GLN A 61 -14.204 -15.587 -7.449 1.00 0.00 N ATOM 473 CA GLN A 61 -13.032 -15.547 -8.335 1.00 0.00 C ATOM 474 C GLN A 61 -13.162 -14.429 -9.368 1.00 0.00 C ATOM 475 O GLN A 61 -12.185 -13.717 -9.588 1.00 0.00 O ATOM 476 CB GLN A 61 -12.812 -16.889 -9.066 1.00 0.00 C ATOM 477 CG GLN A 61 -12.018 -17.928 -8.267 1.00 0.00 C ATOM 478 CD GLN A 61 -11.650 -19.143 -9.133 1.00 0.00 C ATOM 479 OE1 GLN A 61 -12.510 -19.951 -9.474 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.380 -19.306 -9.509 1.00 0.00 N ATOM 0 H GLN A 61 -14.666 -16.496 -7.410 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.169 -15.355 -7.697 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.784 -17.312 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.291 -16.696 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.110 -17.471 -7.875 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.605 -18.256 -7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.672 -18.630 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.117 -20.106 -10.084 1.00 0.00 H new ATOM 489 N GLY A 62 -14.333 -14.274 -9.993 1.00 0.00 N ATOM 490 CA GLY A 62 -14.545 -13.276 -11.034 1.00 0.00 C ATOM 491 C GLY A 62 -14.302 -11.860 -10.507 1.00 0.00 C ATOM 492 O GLY A 62 -13.457 -11.145 -11.040 1.00 0.00 O ATOM 0 H GLY A 62 -15.157 -14.839 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.876 -13.474 -11.872 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.564 -13.355 -11.414 1.00 0.00 H new ATOM 496 N GLU A 63 -15.002 -11.463 -9.443 1.00 0.00 N ATOM 497 CA GLU A 63 -14.940 -10.088 -8.939 1.00 0.00 C ATOM 498 C GLU A 63 -13.586 -9.816 -8.265 1.00 0.00 C ATOM 499 O GLU A 63 -12.997 -8.740 -8.438 1.00 0.00 O ATOM 500 CB GLU A 63 -16.104 -9.843 -7.966 1.00 0.00 C ATOM 501 CG GLU A 63 -17.484 -9.920 -8.636 1.00 0.00 C ATOM 502 CD GLU A 63 -17.662 -8.822 -9.701 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.686 -7.627 -9.325 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.779 -9.147 -10.906 1.00 0.00 O ATOM 0 H GLU A 63 -15.621 -12.076 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.034 -9.396 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.057 -10.578 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.985 -8.861 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.610 -10.899 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.262 -9.822 -7.879 1.00 0.00 H new ATOM 511 N TYR A 64 -13.064 -10.815 -7.538 1.00 0.00 N ATOM 512 CA TYR A 64 -11.707 -10.805 -7.013 1.00 0.00 C ATOM 513 C TYR A 64 -10.732 -10.451 -8.133 1.00 0.00 C ATOM 514 O TYR A 64 -9.993 -9.477 -7.999 1.00 0.00 O ATOM 515 CB TYR A 64 -11.389 -12.172 -6.392 1.00 0.00 C ATOM 516 CG TYR A 64 -9.923 -12.413 -6.124 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.122 -12.963 -7.139 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.363 -12.088 -4.877 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.758 -13.163 -6.918 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.996 -12.320 -4.642 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.191 -12.863 -5.668 1.00 0.00 C ATOM 522 OH TYR A 64 -5.870 -13.099 -5.471 1.00 0.00 O ATOM 0 H TYR A 64 -13.585 -11.659 -7.300 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.609 -10.051 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.937 -12.267 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.757 -12.953 -7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.561 -13.231 -8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.981 -11.661 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.136 -13.550 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.563 -12.084 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.354 -12.705 -6.205 1.00 0.00 H new ATOM 532 N ARG A 65 -10.771 -11.199 -9.243 1.00 0.00 N ATOM 533 CA ARG A 65 -9.881 -10.983 -10.368 1.00 0.00 C ATOM 534 C ARG A 65 -10.076 -9.584 -10.930 1.00 0.00 C ATOM 535 O ARG A 65 -9.079 -8.954 -11.282 1.00 0.00 O ATOM 536 CB ARG A 65 -10.075 -12.075 -11.434 1.00 0.00 C ATOM 537 CG ARG A 65 -9.462 -11.653 -12.787 1.00 0.00 C ATOM 538 CD ARG A 65 -9.279 -12.814 -13.761 1.00 0.00 C ATOM 539 NE ARG A 65 -7.999 -13.492 -13.497 1.00 0.00 N ATOM 540 CZ ARG A 65 -6.865 -13.369 -14.204 1.00 0.00 C ATOM 541 NH1 ARG A 65 -6.760 -12.465 -15.175 1.00 0.00 N ATOM 542 NH2 ARG A 65 -5.832 -14.158 -13.932 1.00 0.00 N ATOM 0 H ARG A 65 -11.425 -11.970 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.848 -11.056 -10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.612 -13.002 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.138 -12.277 -11.561 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.102 -10.900 -13.248 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.495 -11.183 -12.608 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.103 -13.520 -13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.301 -12.446 -14.787 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.971 -14.120 -12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.548 -11.854 -15.390 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.892 -12.383 -15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.903 -14.853 -13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.968 -14.069 -14.466 1.00 0.00 H new ATOM 556 N SER A 66 -11.309 -9.081 -11.019 1.00 0.00 N ATOM 557 CA SER A 66 -11.524 -7.738 -11.527 1.00 0.00 C ATOM 558 C SER A 66 -10.731 -6.706 -10.711 1.00 0.00 C ATOM 559 O SER A 66 -10.240 -5.737 -11.301 1.00 0.00 O ATOM 560 CB SER A 66 -13.016 -7.385 -11.562 1.00 0.00 C ATOM 561 OG SER A 66 -13.732 -8.321 -12.353 1.00 0.00 O ATOM 0 H SER A 66 -12.157 -9.579 -10.749 1.00 0.00 H new ATOM 0 HA SER A 66 -11.155 -7.710 -12.552 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.417 -7.375 -10.548 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.149 -6.382 -11.967 1.00 0.00 H new ATOM 0 HG SER A 66 -13.708 -9.200 -11.921 1.00 0.00 H new ATOM 567 N LEU A 67 -10.551 -6.908 -9.394 1.00 0.00 N ATOM 568 CA LEU A 67 -9.672 -6.033 -8.613 1.00 0.00 C ATOM 569 C LEU A 67 -8.181 -6.413 -8.716 1.00 0.00 C ATOM 570 O LEU A 67 -7.364 -5.535 -9.000 1.00 0.00 O ATOM 571 CB LEU A 67 -10.125 -5.966 -7.147 1.00 0.00 C ATOM 572 CG LEU A 67 -9.320 -4.937 -6.317 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.338 -3.514 -6.900 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.890 -4.861 -4.898 1.00 0.00 C ATOM 0 H LEU A 67 -10.995 -7.655 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.762 -5.040 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.183 -5.708 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.022 -6.952 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.289 -5.291 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.752 -2.852 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.909 -3.526 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.366 -3.154 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.321 -4.136 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.935 -4.552 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.820 -5.841 -4.425 1.00 0.00 H new ATOM 586 N THR A 68 -7.792 -7.672 -8.476 1.00 0.00 N ATOM 587 CA THR A 68 -6.380 -8.054 -8.344 1.00 0.00 C ATOM 588 C THR A 68 -5.644 -8.159 -9.682 1.00 0.00 C ATOM 589 O THR A 68 -4.433 -7.920 -9.742 1.00 0.00 O ATOM 590 CB THR A 68 -6.284 -9.430 -7.674 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.171 -10.321 -8.322 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.612 -9.359 -6.185 1.00 0.00 C ATOM 0 H THR A 68 -8.443 -8.450 -8.368 1.00 0.00 H new ATOM 0 HA THR A 68 -5.913 -7.265 -7.755 1.00 0.00 H new ATOM 0 HB THR A 68 -5.258 -9.786 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.255 -11.142 -7.793 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.533 -10.354 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.911 -8.688 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.627 -8.985 -6.054 1.00 0.00 H new ATOM 600 N GLY A 69 -6.353 -8.526 -10.750 1.00 0.00 N ATOM 601 CA GLY A 69 -5.767 -8.897 -12.024 1.00 0.00 C ATOM 602 C GLY A 69 -5.152 -10.304 -11.947 1.00 0.00 C ATOM 603 O GLY A 69 -4.256 -10.608 -12.734 1.00 0.00 O ATOM 0 H GLY A 69 -7.372 -8.572 -10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.529 -8.869 -12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.000 -8.174 -12.302 1.00 0.00 H new ATOM 607 N ASP A 70 -5.596 -11.159 -11.011 1.00 0.00 N ATOM 608 CA ASP A 70 -5.088 -12.519 -10.821 1.00 0.00 C ATOM 609 C ASP A 70 -6.243 -13.440 -10.438 1.00 0.00 C ATOM 610 O ASP A 70 -7.309 -12.950 -10.075 1.00 0.00 O ATOM 611 CB ASP A 70 -4.015 -12.542 -9.713 1.00 0.00 C ATOM 612 CG ASP A 70 -3.166 -13.832 -9.710 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.264 -14.660 -10.652 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.381 -14.017 -8.747 1.00 0.00 O ATOM 0 H ASP A 70 -6.335 -10.914 -10.352 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.636 -12.863 -11.751 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.356 -11.682 -9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.502 -12.433 -8.744 1.00 0.00 H new ATOM 619 N TRP A 71 -6.084 -14.761 -10.526 1.00 0.00 N ATOM 620 CA TRP A 71 -7.038 -15.706 -9.965 1.00 0.00 C ATOM 621 C TRP A 71 -6.683 -15.942 -8.494 1.00 0.00 C ATOM 622 O TRP A 71 -5.564 -15.662 -8.057 1.00 0.00 O ATOM 623 CB TRP A 71 -6.994 -17.025 -10.744 1.00 0.00 C ATOM 624 CG TRP A 71 -7.524 -16.953 -12.141 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.806 -17.235 -13.249 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.860 -16.587 -12.617 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.599 -17.085 -14.370 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.877 -16.689 -14.041 1.00 0.00 C ATOM 629 CE3 TRP A 71 -10.052 -16.165 -11.990 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -10.023 -16.405 -14.800 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -11.207 -15.876 -12.741 1.00 0.00 C ATOM 632 CH2 TRP A 71 -11.197 -15.996 -14.144 1.00 0.00 C ATOM 0 H TRP A 71 -5.289 -15.202 -10.989 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.048 -15.303 -10.039 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.962 -17.373 -10.781 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.564 -17.774 -10.194 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.768 -17.533 -13.258 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.278 -17.247 -15.324 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.078 -16.062 -10.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.003 -16.500 -15.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.108 -15.560 -12.237 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.088 -15.775 -14.714 1.00 0.00 H new ATOM 643 N ILE A 72 -7.646 -16.460 -7.726 1.00 0.00 N ATOM 644 CA ILE A 72 -7.448 -16.813 -6.321 1.00 0.00 C ATOM 645 C ILE A 72 -6.259 -17.788 -6.257 1.00 0.00 C ATOM 646 O ILE A 72 -6.277 -18.788 -6.979 1.00 0.00 O ATOM 647 CB ILE A 72 -8.748 -17.439 -5.765 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.876 -16.392 -5.627 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.512 -18.203 -4.450 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.796 -15.483 -4.404 1.00 0.00 C ATOM 0 H ILE A 72 -8.590 -16.647 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.225 -15.940 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.079 -18.174 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.877 -15.767 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.831 -16.916 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.454 -18.624 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.796 -19.007 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.118 -17.520 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.637 -14.790 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.831 -16.088 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.862 -14.921 -4.429 1.00 0.00 H new ATOM 662 N PRO A 73 -5.264 -17.569 -5.382 1.00 0.00 N ATOM 663 CA PRO A 73 -4.078 -18.404 -5.306 1.00 0.00 C ATOM 664 C PRO A 73 -4.327 -19.636 -4.412 1.00 0.00 C ATOM 665 O PRO A 73 -3.471 -19.960 -3.595 1.00 0.00 O ATOM 666 CB PRO A 73 -2.984 -17.463 -4.784 1.00 0.00 C ATOM 667 CG PRO A 73 -3.771 -16.613 -3.798 1.00 0.00 C ATOM 668 CD PRO A 73 -5.104 -16.410 -4.513 1.00 0.00 C ATOM 0 HA PRO A 73 -3.785 -18.834 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.170 -18.005 -4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.541 -16.865 -5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.899 -17.118 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.273 -15.665 -3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.925 -16.339 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.102 -15.485 -5.090 1.00 0.00 H new ATOM 676 N PHE A 74 -5.498 -20.290 -4.477 1.00 0.00 N ATOM 677 CA PHE A 74 -5.866 -21.345 -3.528 1.00 0.00 C ATOM 678 C PHE A 74 -4.846 -22.483 -3.567 1.00 0.00 C ATOM 679 O PHE A 74 -4.109 -22.697 -2.607 1.00 0.00 O ATOM 680 CB PHE A 74 -7.317 -21.838 -3.733 1.00 0.00 C ATOM 681 CG PHE A 74 -7.622 -22.587 -5.017 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.796 -21.906 -6.237 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.728 -23.989 -4.987 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.083 -22.621 -7.412 1.00 0.00 C ATOM 685 CE2 PHE A 74 -8.036 -24.704 -6.158 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.210 -24.021 -7.372 1.00 0.00 C ATOM 0 H PHE A 74 -6.209 -20.102 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.841 -20.917 -2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.575 -22.486 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.978 -20.973 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.709 -20.830 -6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.572 -24.520 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.206 -22.095 -8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.139 -25.779 -6.123 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.441 -24.569 -8.273 1.00 0.00 H new ATOM 696 N LYS A 75 -4.731 -23.158 -4.708 1.00 0.00 N ATOM 697 CA LYS A 75 -3.851 -24.309 -4.884 1.00 0.00 C ATOM 698 C LYS A 75 -2.385 -23.876 -4.887 1.00 0.00 C ATOM 699 O LYS A 75 -1.495 -24.652 -4.536 1.00 0.00 O ATOM 700 CB LYS A 75 -4.273 -24.985 -6.195 1.00 0.00 C ATOM 701 CG LYS A 75 -3.733 -26.418 -6.329 1.00 0.00 C ATOM 702 CD LYS A 75 -4.303 -27.091 -7.590 1.00 0.00 C ATOM 703 CE LYS A 75 -3.885 -28.566 -7.728 1.00 0.00 C ATOM 704 NZ LYS A 75 -2.433 -28.743 -8.011 1.00 0.00 N ATOM 0 H LYS A 75 -5.255 -22.916 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.942 -25.016 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.361 -25.005 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.919 -24.389 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.644 -26.400 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.002 -26.999 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.391 -27.028 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.970 -26.541 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.136 -29.095 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.463 -29.027 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.216 -29.757 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.192 -28.265 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.875 -28.331 -7.236 1.00 0.00 H new ATOM 718 N GLN A 76 -2.146 -22.624 -5.270 1.00 0.00 N ATOM 719 CA GLN A 76 -0.850 -21.995 -5.392 1.00 0.00 C ATOM 720 C GLN A 76 -0.268 -21.746 -3.984 1.00 0.00 C ATOM 721 O GLN A 76 0.929 -21.958 -3.773 1.00 0.00 O ATOM 722 CB GLN A 76 -1.005 -20.695 -6.217 1.00 0.00 C ATOM 723 CG GLN A 76 -1.641 -20.854 -7.630 1.00 0.00 C ATOM 724 CD GLN A 76 -3.182 -20.736 -7.685 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.902 -21.318 -6.883 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.760 -19.988 -8.611 1.00 0.00 N ATOM 0 H GLN A 76 -2.905 -21.989 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.146 -22.639 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.613 -19.995 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.020 -20.242 -6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.213 -20.099 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.354 -21.826 -8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.189 -19.490 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.776 -19.909 -8.642 1.00 0.00 H new ATOM 735 N LEU A 77 -1.105 -21.358 -3.007 1.00 0.00 N ATOM 736 CA LEU A 77 -0.742 -21.245 -1.590 1.00 0.00 C ATOM 737 C LEU A 77 -0.829 -22.603 -0.879 1.00 0.00 C ATOM 738 O LEU A 77 -0.108 -22.815 0.099 1.00 0.00 O ATOM 739 CB LEU A 77 -1.630 -20.210 -0.879 1.00 0.00 C ATOM 740 CG LEU A 77 -1.360 -18.744 -1.287 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.399 -17.810 -0.649 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.037 -18.252 -0.885 1.00 0.00 C ATOM 0 H LEU A 77 -2.077 -21.109 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 77 0.293 -20.906 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.675 -20.444 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.487 -20.306 0.197 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.428 -18.721 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.195 -16.781 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.397 -18.093 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.344 -17.892 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.163 -17.216 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.149 -18.318 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.793 -18.872 -1.366 1.00 0.00 H new ATOM 754 N GLY A 78 -1.653 -23.534 -1.377 1.00 0.00 N ATOM 755 CA GLY A 78 -1.701 -24.926 -0.925 1.00 0.00 C ATOM 756 C GLY A 78 -3.039 -25.324 -0.300 1.00 0.00 C ATOM 757 O GLY A 78 -3.136 -26.399 0.293 1.00 0.00 O ATOM 0 H GLY A 78 -2.319 -23.333 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.497 -25.581 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.907 -25.090 -0.197 1.00 0.00 H new ATOM 761 N TYR A 79 -4.076 -24.495 -0.434 1.00 0.00 N ATOM 762 CA TYR A 79 -5.440 -24.825 -0.044 1.00 0.00 C ATOM 763 C TYR A 79 -6.026 -25.707 -1.149 1.00 0.00 C ATOM 764 O TYR A 79 -5.798 -25.412 -2.326 1.00 0.00 O ATOM 765 CB TYR A 79 -6.255 -23.533 0.081 1.00 0.00 C ATOM 766 CG TYR A 79 -5.608 -22.537 1.016 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.722 -22.708 2.405 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.879 -21.450 0.500 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.090 -21.811 3.276 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.249 -20.548 1.371 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.344 -20.721 2.768 1.00 0.00 C ATOM 772 OH TYR A 79 -3.721 -19.839 3.599 1.00 0.00 O ATOM 0 H TYR A 79 -3.985 -23.557 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.463 -25.345 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.370 -23.082 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.256 -23.770 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.297 -23.531 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.804 -21.310 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.173 -21.952 4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.688 -19.717 0.970 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.258 -19.159 3.066 1.00 0.00 H new ATOM 782 N PRO A 80 -6.789 -26.766 -0.833 1.00 0.00 N ATOM 783 CA PRO A 80 -7.227 -27.702 -1.857 1.00 0.00 C ATOM 784 C PRO A 80 -8.272 -27.108 -2.806 1.00 0.00 C ATOM 785 O PRO A 80 -8.356 -27.543 -3.958 1.00 0.00 O ATOM 786 CB PRO A 80 -7.779 -28.913 -1.092 1.00 0.00 C ATOM 787 CG PRO A 80 -8.222 -28.311 0.243 1.00 0.00 C ATOM 788 CD PRO A 80 -7.139 -27.259 0.487 1.00 0.00 C ATOM 0 HA PRO A 80 -6.397 -27.973 -2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.612 -29.378 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.020 -29.683 -0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.216 -27.868 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.254 -29.057 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.507 -26.455 1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.274 -27.692 0.989 1.00 0.00 H new ATOM 796 N THR A 81 -9.069 -26.139 -2.345 1.00 0.00 N ATOM 797 CA THR A 81 -10.229 -25.639 -3.071 1.00 0.00 C ATOM 798 C THR A 81 -10.387 -24.136 -2.828 1.00 0.00 C ATOM 799 O THR A 81 -9.793 -23.576 -1.901 1.00 0.00 O ATOM 800 CB THR A 81 -11.467 -26.416 -2.576 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.483 -26.354 -1.162 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.472 -27.887 -2.996 1.00 0.00 C ATOM 0 H THR A 81 -8.921 -25.678 -1.447 1.00 0.00 H new ATOM 0 HA THR A 81 -10.109 -25.787 -4.144 1.00 0.00 H new ATOM 0 HB THR A 81 -12.346 -25.954 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.164 -26.967 -0.815 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.371 -28.371 -2.614 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.458 -27.955 -4.084 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.591 -28.384 -2.590 1.00 0.00 H new ATOM 810 N LEU A 82 -11.232 -23.491 -3.638 1.00 0.00 N ATOM 811 CA LEU A 82 -11.615 -22.096 -3.437 1.00 0.00 C ATOM 812 C LEU A 82 -12.274 -21.946 -2.077 1.00 0.00 C ATOM 813 O LEU A 82 -11.961 -21.008 -1.351 1.00 0.00 O ATOM 814 CB LEU A 82 -12.606 -21.622 -4.528 1.00 0.00 C ATOM 815 CG LEU A 82 -12.040 -21.317 -5.930 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.908 -20.290 -5.857 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.553 -22.562 -6.672 1.00 0.00 C ATOM 0 H LEU A 82 -11.669 -23.925 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.714 -21.485 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.375 -22.386 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.100 -20.722 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.874 -20.906 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.529 -20.095 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.285 -19.363 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.103 -20.680 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.168 -22.275 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.761 -23.042 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.382 -23.258 -6.798 1.00 0.00 H new ATOM 829 N GLU A 83 -13.156 -22.884 -1.713 1.00 0.00 N ATOM 830 CA GLU A 83 -13.801 -22.833 -0.416 1.00 0.00 C ATOM 831 C GLU A 83 -12.747 -22.914 0.678 1.00 0.00 C ATOM 832 O GLU A 83 -12.788 -22.086 1.571 1.00 0.00 O ATOM 833 CB GLU A 83 -14.928 -23.871 -0.275 1.00 0.00 C ATOM 834 CG GLU A 83 -14.479 -25.330 -0.177 1.00 0.00 C ATOM 835 CD GLU A 83 -15.678 -26.275 0.027 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.309 -26.693 -0.973 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.982 -26.601 1.199 1.00 0.00 O ATOM 0 H GLU A 83 -13.430 -23.674 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.310 -21.875 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.510 -23.629 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.596 -23.773 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.944 -25.609 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.780 -25.442 0.652 1.00 0.00 H new ATOM 844 N ALA A 84 -11.762 -23.820 0.606 1.00 0.00 N ATOM 845 CA ALA A 84 -10.758 -23.980 1.661 1.00 0.00 C ATOM 846 C ALA A 84 -9.917 -22.716 1.836 1.00 0.00 C ATOM 847 O ALA A 84 -9.652 -22.303 2.963 1.00 0.00 O ATOM 848 CB ALA A 84 -9.873 -25.189 1.358 1.00 0.00 C ATOM 0 H ALA A 84 -11.641 -24.458 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.279 -24.150 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.129 -25.302 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.489 -26.087 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.370 -25.041 0.403 1.00 0.00 H new ATOM 854 N TYR A 85 -9.543 -22.066 0.732 1.00 0.00 N ATOM 855 CA TYR A 85 -8.902 -20.761 0.783 1.00 0.00 C ATOM 856 C TYR A 85 -9.783 -19.764 1.553 1.00 0.00 C ATOM 857 O TYR A 85 -9.301 -19.103 2.471 1.00 0.00 O ATOM 858 CB TYR A 85 -8.595 -20.281 -0.642 1.00 0.00 C ATOM 859 CG TYR A 85 -8.185 -18.826 -0.695 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.883 -18.455 -0.322 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.112 -17.849 -1.106 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.500 -17.102 -0.326 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.740 -16.496 -1.107 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.434 -16.112 -0.718 1.00 0.00 C ATOM 865 OH TYR A 85 -7.087 -14.793 -0.719 1.00 0.00 O ATOM 0 H TYR A 85 -9.677 -22.430 -0.212 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.957 -20.836 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.798 -20.894 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.475 -20.429 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.172 -19.213 -0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.104 -18.139 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.500 -16.819 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.454 -15.743 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.595 -14.322 -1.412 1.00 0.00 H new ATOM 875 N LEU A 86 -11.081 -19.695 1.234 1.00 0.00 N ATOM 876 CA LEU A 86 -12.011 -18.769 1.885 1.00 0.00 C ATOM 877 C LEU A 86 -12.273 -19.141 3.358 1.00 0.00 C ATOM 878 O LEU A 86 -12.396 -18.245 4.191 1.00 0.00 O ATOM 879 CB LEU A 86 -13.315 -18.715 1.067 1.00 0.00 C ATOM 880 CG LEU A 86 -13.160 -18.093 -0.333 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.287 -18.576 -1.248 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.157 -16.562 -0.236 1.00 0.00 C ATOM 0 H LEU A 86 -11.514 -20.279 0.519 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.559 -17.777 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.706 -19.727 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.057 -18.144 1.625 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.208 -18.410 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.169 -18.131 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.247 -19.662 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.248 -18.280 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.047 -16.135 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.096 -16.223 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.326 -16.239 0.391 1.00 0.00 H new ATOM 894 N ARG A 87 -12.306 -20.432 3.717 1.00 0.00 N ATOM 895 CA ARG A 87 -12.334 -20.883 5.129 1.00 0.00 C ATOM 896 C ARG A 87 -11.132 -20.315 5.886 1.00 0.00 C ATOM 897 O ARG A 87 -11.270 -19.963 7.054 1.00 0.00 O ATOM 898 CB ARG A 87 -12.277 -22.427 5.298 1.00 0.00 C ATOM 899 CG ARG A 87 -13.583 -23.241 5.242 1.00 0.00 C ATOM 900 CD ARG A 87 -14.100 -23.443 3.814 1.00 0.00 C ATOM 901 NE ARG A 87 -15.012 -24.589 3.604 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.170 -24.907 4.204 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.629 -24.244 5.263 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.871 -25.919 3.714 1.00 0.00 N ATOM 0 H ARG A 87 -12.314 -21.198 3.043 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.285 -20.524 5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.615 -22.817 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.803 -22.634 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.418 -24.214 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.347 -22.733 5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.616 -22.534 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.242 -23.563 3.153 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.711 -25.246 2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.096 -23.464 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.514 -24.516 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.527 -26.432 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.755 -26.185 4.148 1.00 0.00 H new ATOM 918 N SER A 88 -9.971 -20.238 5.238 1.00 0.00 N ATOM 919 CA SER A 88 -8.688 -19.929 5.865 1.00 0.00 C ATOM 920 C SER A 88 -8.444 -18.427 6.133 1.00 0.00 C ATOM 921 O SER A 88 -7.320 -18.051 6.471 1.00 0.00 O ATOM 922 CB SER A 88 -7.576 -20.574 5.036 1.00 0.00 C ATOM 923 OG SER A 88 -7.817 -21.975 4.936 1.00 0.00 O ATOM 0 H SER A 88 -9.895 -20.394 4.233 1.00 0.00 H new ATOM 0 HA SER A 88 -8.696 -20.355 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.541 -20.127 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.607 -20.392 5.501 1.00 0.00 H new ATOM 0 HG SER A 88 -8.467 -22.145 4.222 1.00 0.00 H new ATOM 929 N VAL A 89 -9.461 -17.562 6.009 1.00 0.00 N ATOM 930 CA VAL A 89 -9.358 -16.124 6.286 1.00 0.00 C ATOM 931 C VAL A 89 -10.496 -15.661 7.239 1.00 0.00 C ATOM 932 O VAL A 89 -11.105 -14.614 7.023 1.00 0.00 O ATOM 933 CB VAL A 89 -9.212 -15.394 4.920 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.311 -15.766 3.912 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.055 -13.870 5.012 1.00 0.00 C ATOM 0 H VAL A 89 -10.393 -17.848 5.708 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.468 -15.857 6.856 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.263 -15.772 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.150 -15.222 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.278 -16.838 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.286 -15.502 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.960 -13.453 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.930 -13.443 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.163 -13.630 5.590 1.00 0.00 H new ATOM 945 N PRO A 90 -10.815 -16.393 8.331 1.00 0.00 N ATOM 946 CA PRO A 90 -12.013 -16.121 9.129 1.00 0.00 C ATOM 947 C PRO A 90 -11.943 -14.805 9.925 1.00 0.00 C ATOM 948 O PRO A 90 -12.976 -14.299 10.368 1.00 0.00 O ATOM 949 CB PRO A 90 -12.158 -17.333 10.050 1.00 0.00 C ATOM 950 CG PRO A 90 -10.716 -17.772 10.292 1.00 0.00 C ATOM 951 CD PRO A 90 -10.025 -17.446 8.968 1.00 0.00 C ATOM 0 HA PRO A 90 -12.879 -15.982 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.659 -17.071 10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.745 -18.124 9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.265 -17.233 11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.653 -18.834 10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.001 -17.113 9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.972 -18.329 8.331 1.00 0.00 H new ATOM 959 N ALA A 91 -10.743 -14.233 10.111 1.00 0.00 N ATOM 960 CA ALA A 91 -10.561 -12.980 10.847 1.00 0.00 C ATOM 961 C ALA A 91 -10.858 -11.745 9.987 1.00 0.00 C ATOM 962 O ALA A 91 -10.903 -10.636 10.524 1.00 0.00 O ATOM 963 CB ALA A 91 -9.128 -12.920 11.386 1.00 0.00 C ATOM 0 H ALA A 91 -9.874 -14.629 9.754 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.275 -12.967 11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.985 -11.990 11.935 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.954 -13.765 12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.424 -12.962 10.555 1.00 0.00 H new ATOM 969 N VAL A 92 -11.043 -11.908 8.670 1.00 0.00 N ATOM 970 CA VAL A 92 -11.179 -10.789 7.728 1.00 0.00 C ATOM 971 C VAL A 92 -12.353 -11.031 6.764 1.00 0.00 C ATOM 972 O VAL A 92 -12.926 -10.080 6.231 1.00 0.00 O ATOM 973 CB VAL A 92 -9.834 -10.569 6.988 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.842 -9.275 6.165 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.618 -10.505 7.926 1.00 0.00 C ATOM 0 H VAL A 92 -11.103 -12.824 8.226 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.411 -9.874 8.273 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.738 -11.442 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.882 -9.158 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.638 -9.322 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.012 -8.425 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.713 -10.349 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.742 -9.679 8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.535 -11.441 8.479 1.00 0.00 H new ATOM 985 N VAL A 93 -12.771 -12.283 6.578 1.00 0.00 N ATOM 986 CA VAL A 93 -13.757 -12.728 5.603 1.00 0.00 C ATOM 987 C VAL A 93 -14.683 -13.724 6.317 1.00 0.00 C ATOM 988 O VAL A 93 -14.371 -14.240 7.391 1.00 0.00 O ATOM 989 CB VAL A 93 -12.976 -13.312 4.396 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.762 -14.168 3.388 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.255 -12.180 3.638 1.00 0.00 C ATOM 0 H VAL A 93 -12.408 -13.055 7.137 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.394 -11.935 5.210 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.285 -14.013 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.091 -14.509 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.189 -15.031 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.563 -13.572 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.709 -12.598 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.989 -11.460 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.557 -11.680 4.309 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.854 -13.962 5.730 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.933 -14.791 6.264 1.00 0.00 C ATOM 1003 C ARG A 94 -17.485 -15.575 5.092 1.00 0.00 C ATOM 1004 O ARG A 94 -17.387 -15.118 3.955 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.976 -13.875 6.934 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.290 -14.577 7.339 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.271 -13.627 8.035 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.831 -12.617 7.110 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.068 -12.624 6.589 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.860 -13.686 6.695 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.510 -11.546 5.947 1.00 0.00 N ATOM 0 H ARG A 94 -16.088 -13.561 4.822 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.603 -15.492 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.530 -13.430 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.212 -13.058 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.763 -14.996 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.063 -15.411 8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.085 -14.206 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.762 -13.121 8.856 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.221 -11.844 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.532 -14.521 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.796 -13.666 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.911 -10.726 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.448 -11.540 5.547 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.077 -16.731 5.343 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.708 -17.532 4.306 1.00 0.00 C ATOM 1027 C ILE A 95 -19.983 -18.155 4.873 1.00 0.00 C ATOM 1028 O ILE A 95 -20.072 -18.421 6.072 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.726 -18.597 3.765 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.203 -19.550 4.853 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.546 -17.949 3.019 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.258 -20.634 4.330 1.00 0.00 C ATOM 0 H ILE A 95 -18.134 -17.142 6.275 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.979 -16.902 3.459 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.304 -19.198 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.684 -18.967 5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.052 -20.028 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.876 -18.727 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.923 -17.368 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.002 -17.292 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.934 -21.264 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.778 -21.244 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.389 -20.167 3.868 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.951 -18.417 3.993 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.186 -19.113 4.300 1.00 0.00 C ATOM 1046 C GLU A 96 -22.325 -20.202 3.231 1.00 0.00 C ATOM 1047 O GLU A 96 -22.636 -19.917 2.073 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.383 -18.139 4.300 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.247 -16.920 5.232 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.103 -17.228 6.735 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -23.527 -18.314 7.210 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -22.555 -16.352 7.452 1.00 0.00 O ATOM 0 H GLU A 96 -20.887 -18.137 3.014 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.170 -19.552 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.537 -17.781 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.279 -18.692 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.379 -16.342 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.121 -16.284 5.094 1.00 0.00 H new ATOM 1059 N ALA A 97 -22.019 -21.449 3.594 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.268 -22.606 2.742 1.00 0.00 C ATOM 1061 C ALA A 97 -23.766 -22.920 2.822 1.00 0.00 C ATOM 1062 O ALA A 97 -24.304 -23.156 3.906 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.417 -23.794 3.204 1.00 0.00 C ATOM 0 H ALA A 97 -21.591 -21.682 4.490 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.991 -22.400 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.611 -24.652 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.361 -23.529 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.673 -24.047 4.233 1.00 0.00 H new ATOM 1069 N SER A 98 -24.443 -22.866 1.675 1.00 0.00 N ATOM 1070 CA SER A 98 -25.855 -23.169 1.541 1.00 0.00 C ATOM 1071 C SER A 98 -26.045 -24.687 1.553 1.00 0.00 C ATOM 1072 O SER A 98 -25.147 -25.453 1.186 1.00 0.00 O ATOM 1073 CB SER A 98 -26.371 -22.542 0.236 1.00 0.00 C ATOM 1074 OG SER A 98 -27.779 -22.687 0.128 1.00 0.00 O ATOM 0 H SER A 98 -24.005 -22.602 0.792 1.00 0.00 H new ATOM 0 HA SER A 98 -26.425 -22.753 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.107 -21.485 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.886 -23.016 -0.617 1.00 0.00 H new ATOM 0 HG SER A 98 -28.087 -22.280 -0.709 1.00 0.00 H new ATOM 1080 N ARG A 99 -27.263 -25.121 1.888 1.00 0.00 N ATOM 1081 CA ARG A 99 -27.665 -26.533 1.850 1.00 0.00 C ATOM 1082 C ARG A 99 -27.528 -27.157 0.457 1.00 0.00 C ATOM 1083 O ARG A 99 -27.430 -28.378 0.341 1.00 0.00 O ATOM 1084 CB ARG A 99 -29.079 -26.731 2.438 1.00 0.00 C ATOM 1085 CG ARG A 99 -30.292 -26.422 1.538 1.00 0.00 C ATOM 1086 CD ARG A 99 -30.438 -24.958 1.096 1.00 0.00 C ATOM 1087 NE ARG A 99 -31.805 -24.696 0.604 1.00 0.00 N ATOM 1088 CZ ARG A 99 -32.271 -24.836 -0.648 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -31.465 -25.153 -1.660 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -33.569 -24.654 -0.883 1.00 0.00 N ATOM 0 H ARG A 99 -28.008 -24.496 2.197 1.00 0.00 H new ATOM 0 HA ARG A 99 -26.964 -27.073 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -29.162 -27.768 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -29.159 -26.109 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -30.228 -27.047 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -31.198 -26.714 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -30.214 -24.296 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -29.715 -24.736 0.311 1.00 0.00 H new ATOM 0 HE ARG A 99 -32.477 -24.369 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -30.469 -25.295 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -31.844 -25.253 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -34.197 -24.411 -0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -33.935 -24.757 -1.829 1.00 0.00 H new ATOM 1104 N SER A 100 -27.498 -26.326 -0.589 1.00 0.00 N ATOM 1105 CA SER A 100 -27.311 -26.733 -1.977 1.00 0.00 C ATOM 1106 C SER A 100 -25.907 -27.296 -2.247 1.00 0.00 C ATOM 1107 O SER A 100 -25.679 -27.863 -3.319 1.00 0.00 O ATOM 1108 CB SER A 100 -27.572 -25.508 -2.867 1.00 0.00 C ATOM 1109 OG SER A 100 -28.703 -24.782 -2.391 1.00 0.00 O ATOM 0 H SER A 100 -27.607 -25.317 -0.485 1.00 0.00 H new ATOM 0 HA SER A 100 -28.010 -27.539 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 100 -26.694 -24.862 -2.875 1.00 0.00 H new ATOM 0 HB3 SER A 100 -27.743 -25.827 -3.895 1.00 0.00 H new ATOM 0 HG SER A 100 -28.857 -24.003 -2.966 1.00 0.00 H new ATOM 1115 N GLY A 101 -24.956 -27.145 -1.312 1.00 0.00 N ATOM 1116 CA GLY A 101 -23.555 -27.483 -1.540 1.00 0.00 C ATOM 1117 C GLY A 101 -22.880 -26.429 -2.419 1.00 0.00 C ATOM 1118 O GLY A 101 -22.023 -26.752 -3.243 1.00 0.00 O ATOM 0 H GLY A 101 -25.144 -26.784 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -23.033 -27.556 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.485 -28.461 -2.017 1.00 0.00 H new ATOM 1122 N GLU A 102 -23.281 -25.165 -2.251 1.00 0.00 N ATOM 1123 CA GLU A 102 -22.637 -23.991 -2.822 1.00 0.00 C ATOM 1124 C GLU A 102 -22.296 -23.094 -1.633 1.00 0.00 C ATOM 1125 O GLU A 102 -22.812 -23.298 -0.534 1.00 0.00 O ATOM 1126 CB GLU A 102 -23.581 -23.303 -3.822 1.00 0.00 C ATOM 1127 CG GLU A 102 -23.859 -24.166 -5.063 1.00 0.00 C ATOM 1128 CD GLU A 102 -24.735 -23.413 -6.081 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -24.184 -22.648 -6.911 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -25.980 -23.581 -6.066 1.00 0.00 O ATOM 0 H GLU A 102 -24.098 -24.928 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 102 -21.736 -24.237 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.524 -23.072 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.144 -22.354 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -22.916 -24.450 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -24.356 -25.088 -4.764 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.445 -22.086 -1.814 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.019 -21.205 -0.734 1.00 0.00 C ATOM 1139 C ILE A 103 -21.018 -19.774 -1.241 1.00 0.00 C ATOM 1140 O ILE A 103 -20.614 -19.515 -2.374 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.702 -21.717 -0.081 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.038 -20.697 0.870 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.655 -22.339 -1.018 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.103 -19.681 0.194 1.00 0.00 C ATOM 0 H ILE A 103 -21.031 -21.858 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.723 -21.217 0.098 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.081 -22.551 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.822 -20.151 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.470 -21.243 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.788 -22.654 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.086 -23.203 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.347 -21.602 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.688 -19.011 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.292 -20.210 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.665 -19.101 -0.538 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.443 -18.862 -0.368 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.506 -17.430 -0.597 1.00 0.00 C ATOM 1158 C VAL A 104 -20.461 -16.809 0.324 1.00 0.00 C ATOM 1159 O VAL A 104 -20.344 -17.211 1.481 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.945 -16.923 -0.307 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.140 -15.528 -0.918 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.043 -17.862 -0.842 1.00 0.00 C ATOM 0 H VAL A 104 -21.768 -19.121 0.564 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.290 -17.155 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.046 -16.891 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.151 -15.178 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.420 -14.836 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.987 -15.578 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.023 -17.448 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.942 -17.961 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.942 -18.843 -0.377 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.671 -15.871 -0.191 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.543 -15.274 0.512 1.00 0.00 C ATOM 1174 C CYS A 105 -18.917 -13.856 0.923 1.00 0.00 C ATOM 1175 O CYS A 105 -19.619 -13.186 0.170 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.321 -15.238 -0.420 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.182 -16.733 -1.442 1.00 0.00 S ATOM 0 H CYS A 105 -19.802 -15.497 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.300 -15.863 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.388 -14.364 -1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.416 -15.124 0.177 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.075 -16.698 -2.386 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.397 -13.381 2.054 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.704 -12.084 2.655 1.00 0.00 C ATOM 1185 C TYR A 106 -17.462 -11.507 3.326 1.00 0.00 C ATOM 1186 O TYR A 106 -16.502 -12.234 3.580 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.778 -12.289 3.724 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.128 -12.669 3.179 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.964 -11.672 2.645 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.542 -14.013 3.216 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.261 -11.999 2.222 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.823 -14.352 2.750 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.700 -13.346 2.268 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.961 -13.656 1.849 1.00 0.00 O ATOM 0 H TYR A 106 -17.720 -13.914 2.601 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.047 -11.399 1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.445 -13.066 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.878 -11.371 4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.608 -10.656 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.881 -14.777 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.924 -11.226 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.142 -15.384 2.759 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.109 -14.620 1.942 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.474 -10.215 3.657 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.395 -9.597 4.419 1.00 0.00 C ATOM 1206 C ALA A 107 -16.648 -9.755 5.921 1.00 0.00 C ATOM 1207 O ALA A 107 -17.750 -10.115 6.338 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.298 -8.108 4.067 1.00 0.00 C ATOM 0 H ALA A 107 -18.227 -9.574 3.406 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.458 -10.092 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.491 -7.651 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.095 -7.998 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.239 -7.615 4.310 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.637 -9.413 6.718 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.741 -9.288 8.178 1.00 0.00 C ATOM 1216 C VAL A 108 -14.893 -8.128 8.731 1.00 0.00 C ATOM 1217 O VAL A 108 -15.282 -7.538 9.742 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.446 -10.664 8.837 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.357 -10.678 9.922 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.730 -11.250 9.443 1.00 0.00 C ATOM 0 H VAL A 108 -14.702 -9.210 6.364 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.762 -9.015 8.443 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.060 -11.266 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.240 -11.691 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.413 -10.342 9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.645 -10.011 10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.509 -12.214 9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.119 -10.569 10.200 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.475 -11.384 8.658 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.780 -7.757 8.080 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.927 -6.629 8.465 1.00 0.00 C ATOM 1232 C ALA A 109 -12.339 -5.989 7.206 1.00 0.00 C ATOM 1233 O ALA A 109 -12.843 -6.304 6.106 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.822 -7.107 9.420 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.405 -5.161 7.322 1.00 0.00 O ATOM 0 H ALA A 109 -13.442 -8.247 7.251 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.518 -5.879 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.193 -6.262 9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.274 -7.536 10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.214 -7.863 8.923 1.00 0.00 H new TER 1241 ALA A 109