USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 998 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 32 THR OG1 : rot -110:sc= 0.981 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -115:sc= 1.52 (180deg=-2.83!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -170:sc= -2.45! (180deg=-4.37!) USER MOD Set 2.2: A 73 THR OG1 : rot -134:sc= 0.589 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -1.73! C(o=-0.82!,f=-4.8!) USER MOD Set 3.2: A 63 SER OG : rot 94:sc= 0.909 USER MOD Set 4.1: A 47 THR OG1 : rot 180:sc= 0.299 USER MOD Set 4.2: A 71 GLN : amide:sc= 0.489 X(o=0.79,f=0.64) USER MOD Set 5.1: A 17 GLN : amide:sc= -0.135 X(o=-1,f=-1.1) USER MOD Set 5.2: A 25 GLN : amide:sc= -0.867 X(o=-1,f=-1.1) USER MOD Set 6.1: A 7 HIS : no HD1:sc=-0.00593 X(o=-0.18,f=-0.16) USER MOD Set 6.2: A 9 MET CE :methyl 165:sc= -0.178 (180deg=-0.702) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.164 (180deg=-0.85) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0588 (180deg=-0.148) USER MOD Single : A 3 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=0.00085) USER MOD Single : A 4 HIS : no HD1:sc=-0.000627 X(o=-0.00063,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0453 X(o=-0.045,f=-0.059) USER MOD Single : A 6 HIS : no HD1:sc= -0.0923 X(o=-0.092,f=-0.099) USER MOD Single : A 8 HIS : no HD1:sc= 0.214 K(o=0.21,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot 54:sc= 0.439 USER MOD Single : A 15 GLN : amide:sc= 0.322 X(o=0.32,f=-0.035) USER MOD Single : A 16 THR OG1 : rot -139:sc= 0.642 USER MOD Single : A 21 SER OG : rot -131:sc= 0.457 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.00755 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.025) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 90:sc= 0.121 USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -2.31! (180deg=-3.82!) USER MOD Single : A 41 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.97) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= 0.00686 (180deg=-0.205) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.834 (180deg=-1.12) USER MOD Single : A 59 GLN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.117 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.07) USER MOD Single : A 85 GLN : amide:sc= -2.01! K(o=-2!,f=-0.59) USER MOD Single : A 89 THR OG1 : rot -36:sc= -0.714 USER MOD Single : A 90 MET CE :methyl 171:sc= -3.79 (180deg=-3.9) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 78:sc= 0.31 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.807 5.129 -28.303 1.00 3.40 N ATOM 2 CA MET A 1 -21.469 4.503 -28.192 1.00 10.21 C ATOM 3 C MET A 1 -20.825 4.870 -26.859 1.00 31.33 C ATOM 4 O MET A 1 -21.219 5.847 -26.217 1.00 3.30 O ATOM 5 CB MET A 1 -20.569 4.952 -29.354 1.00 73.31 C ATOM 6 CG MET A 1 -21.034 4.459 -30.718 1.00 65.15 C ATOM 7 SD MET A 1 -20.024 5.092 -32.074 1.00 4.42 S ATOM 8 CE MET A 1 -20.285 6.857 -31.906 1.00 65.21 C ATOM 0 H1 MET A 1 -23.527 4.389 -28.431 1.00 3.40 H new ATOM 0 H2 MET A 1 -23.012 5.666 -27.436 1.00 3.40 H new ATOM 0 H3 MET A 1 -22.823 5.772 -29.120 1.00 3.40 H new ATOM 0 HA MET A 1 -21.588 3.421 -28.241 1.00 10.21 H new ATOM 0 HB2 MET A 1 -20.525 6.041 -29.367 1.00 73.31 H new ATOM 0 HB3 MET A 1 -19.555 4.594 -29.175 1.00 73.31 H new ATOM 0 HG2 MET A 1 -21.011 3.369 -30.732 1.00 65.15 H new ATOM 0 HG3 MET A 1 -22.071 4.758 -30.873 1.00 65.15 H new ATOM 0 HE1 MET A 1 -20.088 7.346 -32.860 1.00 65.21 H new ATOM 0 HE2 MET A 1 -21.316 7.046 -31.608 1.00 65.21 H new ATOM 0 HE3 MET A 1 -19.610 7.254 -31.148 1.00 65.21 H new ATOM 20 N ALA A 2 -19.843 4.078 -26.441 1.00 11.55 N ATOM 21 CA ALA A 2 -19.127 4.326 -25.197 1.00 5.04 C ATOM 22 C ALA A 2 -18.153 5.488 -25.364 1.00 60.10 C ATOM 23 O ALA A 2 -17.094 5.337 -25.972 1.00 53.10 O ATOM 24 CB ALA A 2 -18.396 3.063 -24.746 1.00 52.24 C ATOM 0 H ALA A 2 -19.524 3.254 -26.950 1.00 11.55 H new ATOM 0 HA ALA A 2 -19.848 4.597 -24.426 1.00 5.04 H new ATOM 0 HB1 ALA A 2 -17.865 3.263 -23.815 1.00 52.24 H new ATOM 0 HB2 ALA A 2 -19.118 2.262 -24.587 1.00 52.24 H new ATOM 0 HB3 ALA A 2 -17.683 2.762 -25.513 1.00 52.24 H new ATOM 30 N HIS A 3 -18.535 6.656 -24.854 1.00 21.32 N ATOM 31 CA HIS A 3 -17.675 7.835 -24.910 1.00 71.41 C ATOM 32 C HIS A 3 -16.521 7.685 -23.931 1.00 74.23 C ATOM 33 O HIS A 3 -15.375 8.009 -24.247 1.00 21.43 O ATOM 34 CB HIS A 3 -18.470 9.108 -24.604 1.00 10.53 C ATOM 35 CG HIS A 3 -19.415 9.503 -25.696 1.00 12.00 C ATOM 36 ND1 HIS A 3 -19.185 10.566 -26.538 1.00 64.50 N ATOM 37 CD2 HIS A 3 -20.595 8.967 -26.084 1.00 70.35 C ATOM 38 CE1 HIS A 3 -20.178 10.667 -27.396 1.00 44.42 C ATOM 39 NE2 HIS A 3 -21.049 9.708 -27.146 1.00 50.14 N ATOM 0 H HIS A 3 -19.434 6.811 -24.398 1.00 21.32 H new ATOM 0 HA HIS A 3 -17.275 7.921 -25.920 1.00 71.41 H new ATOM 0 HB2 HIS A 3 -19.034 8.961 -23.683 1.00 10.53 H new ATOM 0 HB3 HIS A 3 -17.773 9.927 -24.424 1.00 10.53 H new ATOM 0 HD2 HIS A 3 -21.088 8.115 -25.640 1.00 70.35 H new ATOM 0 HE1 HIS A 3 -20.265 11.411 -28.174 1.00 44.42 H new ATOM 0 HE2 HIS A 3 -21.916 9.544 -27.657 1.00 50.14 H new ATOM 48 N HIS A 4 -16.827 7.190 -22.736 1.00 41.44 N ATOM 49 CA HIS A 4 -15.794 6.882 -21.760 1.00 61.42 C ATOM 50 C HIS A 4 -15.105 5.590 -22.175 1.00 34.24 C ATOM 51 O HIS A 4 -15.736 4.531 -22.239 1.00 73.23 O ATOM 52 CB HIS A 4 -16.382 6.770 -20.345 1.00 70.34 C ATOM 53 CG HIS A 4 -16.956 8.063 -19.836 1.00 12.14 C ATOM 54 ND1 HIS A 4 -18.195 8.158 -19.239 1.00 24.54 N ATOM 55 CD2 HIS A 4 -16.453 9.322 -19.848 1.00 32.52 C ATOM 56 CE1 HIS A 4 -18.429 9.416 -18.909 1.00 45.00 C ATOM 57 NE2 HIS A 4 -17.388 10.142 -19.267 1.00 44.43 N ATOM 0 H HIS A 4 -17.778 6.995 -22.423 1.00 41.44 H new ATOM 0 HA HIS A 4 -15.064 7.691 -21.734 1.00 61.42 H new ATOM 0 HB2 HIS A 4 -17.162 6.008 -20.342 1.00 70.34 H new ATOM 0 HB3 HIS A 4 -15.603 6.432 -19.661 1.00 70.34 H new ATOM 0 HD2 HIS A 4 -15.494 9.624 -20.242 1.00 32.52 H new ATOM 0 HE1 HIS A 4 -19.322 9.787 -18.428 1.00 45.00 H new ATOM 0 HE2 HIS A 4 -17.293 11.149 -19.134 1.00 44.43 H new ATOM 66 N HIS A 5 -13.816 5.693 -22.474 1.00 33.34 N ATOM 67 CA HIS A 5 -13.071 4.607 -23.103 1.00 30.04 C ATOM 68 C HIS A 5 -13.078 3.347 -22.241 1.00 71.42 C ATOM 69 O HIS A 5 -12.254 3.197 -21.336 1.00 43.00 O ATOM 70 CB HIS A 5 -11.626 5.039 -23.387 1.00 43.53 C ATOM 71 CG HIS A 5 -11.523 6.335 -24.135 1.00 2.34 C ATOM 72 ND1 HIS A 5 -10.897 7.451 -23.624 1.00 73.32 N ATOM 73 CD2 HIS A 5 -11.979 6.692 -25.362 1.00 13.00 C ATOM 74 CE1 HIS A 5 -10.976 8.435 -24.499 1.00 45.42 C ATOM 75 NE2 HIS A 5 -11.624 8.002 -25.562 1.00 75.32 N ATOM 0 H HIS A 5 -13.259 6.527 -22.289 1.00 33.34 H new ATOM 0 HA HIS A 5 -13.567 4.374 -24.045 1.00 30.04 H new ATOM 0 HB2 HIS A 5 -11.091 5.131 -22.442 1.00 43.53 H new ATOM 0 HB3 HIS A 5 -11.128 4.257 -23.961 1.00 43.53 H new ATOM 0 HD2 HIS A 5 -12.520 6.062 -26.052 1.00 13.00 H new ATOM 0 HE1 HIS A 5 -10.576 9.430 -24.366 1.00 45.42 H new ATOM 0 HE2 HIS A 5 -11.828 8.551 -26.397 1.00 75.32 H new ATOM 84 N HIS A 6 -14.030 2.457 -22.513 1.00 63.13 N ATOM 85 CA HIS A 6 -14.092 1.164 -21.842 1.00 11.21 C ATOM 86 C HIS A 6 -12.981 0.258 -22.373 1.00 65.13 C ATOM 87 O HIS A 6 -13.233 -0.689 -23.119 1.00 22.35 O ATOM 88 CB HIS A 6 -15.472 0.514 -22.041 1.00 13.32 C ATOM 89 CG HIS A 6 -15.608 -0.836 -21.396 1.00 73.33 C ATOM 90 ND1 HIS A 6 -15.827 -1.997 -22.111 1.00 11.11 N ATOM 91 CD2 HIS A 6 -15.571 -1.207 -20.091 1.00 2.41 C ATOM 92 CE1 HIS A 6 -15.916 -3.017 -21.278 1.00 15.55 C ATOM 93 NE2 HIS A 6 -15.763 -2.565 -20.051 1.00 40.03 N ATOM 0 H HIS A 6 -14.771 2.610 -23.197 1.00 63.13 H new ATOM 0 HA HIS A 6 -13.946 1.311 -20.772 1.00 11.21 H new ATOM 0 HB2 HIS A 6 -16.237 1.177 -21.637 1.00 13.32 H new ATOM 0 HB3 HIS A 6 -15.666 0.417 -23.109 1.00 13.32 H new ATOM 0 HD2 HIS A 6 -15.419 -0.556 -19.243 1.00 2.41 H new ATOM 0 HE1 HIS A 6 -16.085 -4.047 -21.556 1.00 15.55 H new ATOM 0 HE2 HIS A 6 -15.784 -3.134 -19.205 1.00 40.03 H new ATOM 102 N HIS A 7 -11.744 0.590 -22.015 1.00 35.24 N ATOM 103 CA HIS A 7 -10.576 -0.168 -22.452 1.00 21.22 C ATOM 104 C HIS A 7 -10.213 -1.181 -21.375 1.00 62.14 C ATOM 105 O HIS A 7 -10.086 -0.819 -20.204 1.00 65.32 O ATOM 106 CB HIS A 7 -9.395 0.782 -22.721 1.00 40.00 C ATOM 107 CG HIS A 7 -8.338 0.208 -23.622 1.00 5.42 C ATOM 108 ND1 HIS A 7 -8.044 0.741 -24.857 1.00 32.01 N ATOM 109 CD2 HIS A 7 -7.506 -0.849 -23.467 1.00 63.42 C ATOM 110 CE1 HIS A 7 -7.086 0.038 -25.423 1.00 15.31 C ATOM 111 NE2 HIS A 7 -6.738 -0.937 -24.604 1.00 2.11 N ATOM 0 H HIS A 7 -11.524 1.387 -21.418 1.00 35.24 H new ATOM 0 HA HIS A 7 -10.805 -0.693 -23.379 1.00 21.22 H new ATOM 0 HB2 HIS A 7 -9.776 1.701 -23.166 1.00 40.00 H new ATOM 0 HB3 HIS A 7 -8.938 1.054 -21.770 1.00 40.00 H new ATOM 0 HD2 HIS A 7 -7.455 -1.502 -22.609 1.00 63.42 H new ATOM 0 HE1 HIS A 7 -6.656 0.227 -26.396 1.00 15.31 H new ATOM 0 HE2 HIS A 7 -6.020 -1.638 -24.784 1.00 2.11 H new ATOM 120 N HIS A 8 -10.057 -2.441 -21.763 1.00 54.52 N ATOM 121 CA HIS A 8 -9.795 -3.510 -20.803 1.00 71.42 C ATOM 122 C HIS A 8 -8.626 -4.373 -21.268 1.00 60.23 C ATOM 123 O HIS A 8 -8.538 -4.736 -22.445 1.00 64.12 O ATOM 124 CB HIS A 8 -11.055 -4.372 -20.614 1.00 2.44 C ATOM 125 CG HIS A 8 -10.989 -5.310 -19.440 1.00 43.31 C ATOM 126 ND1 HIS A 8 -11.572 -5.027 -18.224 1.00 41.21 N ATOM 127 CD2 HIS A 8 -10.417 -6.532 -19.301 1.00 73.24 C ATOM 128 CE1 HIS A 8 -11.362 -6.029 -17.391 1.00 22.34 C ATOM 129 NE2 HIS A 8 -10.664 -6.956 -18.018 1.00 54.34 N ATOM 0 H HIS A 8 -10.107 -2.749 -22.734 1.00 54.52 H new ATOM 0 HA HIS A 8 -9.530 -3.061 -19.846 1.00 71.42 H new ATOM 0 HB2 HIS A 8 -11.916 -3.715 -20.492 1.00 2.44 H new ATOM 0 HB3 HIS A 8 -11.223 -4.953 -21.520 1.00 2.44 H new ATOM 0 HD2 HIS A 8 -9.869 -7.072 -20.059 1.00 73.24 H new ATOM 0 HE1 HIS A 8 -11.704 -6.081 -16.368 1.00 22.34 H new ATOM 0 HE2 HIS A 8 -10.358 -7.842 -17.616 1.00 54.34 H new ATOM 138 N MET A 9 -7.723 -4.675 -20.342 1.00 34.13 N ATOM 139 CA MET A 9 -6.595 -5.569 -20.598 1.00 52.34 C ATOM 140 C MET A 9 -6.197 -6.263 -19.301 1.00 10.22 C ATOM 141 O MET A 9 -6.741 -5.953 -18.239 1.00 4.13 O ATOM 142 CB MET A 9 -5.397 -4.798 -21.185 1.00 35.21 C ATOM 143 CG MET A 9 -4.791 -3.766 -20.239 1.00 10.04 C ATOM 144 SD MET A 9 -3.418 -2.858 -20.985 1.00 4.34 S ATOM 145 CE MET A 9 -4.242 -2.050 -22.357 1.00 21.11 C ATOM 0 H MET A 9 -7.751 -4.308 -19.391 1.00 34.13 H new ATOM 0 HA MET A 9 -6.899 -6.316 -21.332 1.00 52.34 H new ATOM 0 HB2 MET A 9 -4.624 -5.512 -21.469 1.00 35.21 H new ATOM 0 HB3 MET A 9 -5.716 -4.294 -22.098 1.00 35.21 H new ATOM 0 HG2 MET A 9 -5.564 -3.061 -19.933 1.00 10.04 H new ATOM 0 HG3 MET A 9 -4.442 -4.267 -19.336 1.00 10.04 H new ATOM 0 HE1 MET A 9 -3.605 -1.257 -22.748 1.00 21.11 H new ATOM 0 HE2 MET A 9 -4.439 -2.779 -23.144 1.00 21.11 H new ATOM 0 HE3 MET A 9 -5.184 -1.623 -22.015 1.00 21.11 H new ATOM 155 N GLY A 10 -5.259 -7.200 -19.386 1.00 72.52 N ATOM 156 CA GLY A 10 -4.828 -7.939 -18.210 1.00 63.23 C ATOM 157 C GLY A 10 -4.244 -9.283 -18.579 1.00 1.24 C ATOM 158 O GLY A 10 -3.387 -9.364 -19.459 1.00 31.32 O ATOM 0 H GLY A 10 -4.787 -7.463 -20.251 1.00 72.52 H new ATOM 0 HA2 GLY A 10 -4.085 -7.356 -17.666 1.00 63.23 H new ATOM 0 HA3 GLY A 10 -5.675 -8.082 -17.539 1.00 63.23 H new ATOM 162 N THR A 11 -4.722 -10.343 -17.938 1.00 0.32 N ATOM 163 CA THR A 11 -4.252 -11.690 -18.234 1.00 22.11 C ATOM 164 C THR A 11 -4.819 -12.164 -19.571 1.00 23.13 C ATOM 165 O THR A 11 -5.835 -12.862 -19.613 1.00 3.55 O ATOM 166 CB THR A 11 -4.642 -12.683 -17.112 1.00 61.11 C ATOM 167 OG1 THR A 11 -6.056 -12.615 -16.866 1.00 12.15 O ATOM 168 CG2 THR A 11 -3.882 -12.382 -15.822 1.00 23.11 C ATOM 0 H THR A 11 -5.435 -10.295 -17.210 1.00 0.32 H new ATOM 0 HA THR A 11 -3.164 -11.659 -18.295 1.00 22.11 H new ATOM 0 HB THR A 11 -4.376 -13.687 -17.442 1.00 61.11 H new ATOM 0 HG1 THR A 11 -6.541 -12.752 -17.706 1.00 12.15 H new ATOM 0 HG21 THR A 11 -4.176 -13.095 -15.052 1.00 23.11 H new ATOM 0 HG22 THR A 11 -2.810 -12.465 -16.003 1.00 23.11 H new ATOM 0 HG23 THR A 11 -4.116 -11.371 -15.489 1.00 23.11 H new ATOM 176 N LEU A 12 -4.180 -11.730 -20.660 1.00 23.05 N ATOM 177 CA LEU A 12 -4.636 -12.035 -22.017 1.00 13.01 C ATOM 178 C LEU A 12 -6.041 -11.472 -22.251 1.00 72.23 C ATOM 179 O LEU A 12 -6.744 -11.879 -23.175 1.00 0.21 O ATOM 180 CB LEU A 12 -4.609 -13.552 -22.277 1.00 64.41 C ATOM 181 CG LEU A 12 -3.223 -14.216 -22.157 1.00 51.22 C ATOM 182 CD1 LEU A 12 -3.321 -15.719 -22.406 1.00 51.14 C ATOM 183 CD2 LEU A 12 -2.229 -13.572 -23.124 1.00 60.24 C ATOM 0 H LEU A 12 -3.335 -11.159 -20.626 1.00 23.05 H new ATOM 0 HA LEU A 12 -3.953 -11.559 -22.720 1.00 13.01 H new ATOM 0 HB2 LEU A 12 -5.288 -14.036 -21.575 1.00 64.41 H new ATOM 0 HB3 LEU A 12 -4.998 -13.740 -23.278 1.00 64.41 H new ATOM 0 HG LEU A 12 -2.859 -14.062 -21.141 1.00 51.22 H new ATOM 0 HD11 LEU A 12 -2.332 -16.168 -22.316 1.00 51.14 H new ATOM 0 HD12 LEU A 12 -3.990 -16.167 -21.671 1.00 51.14 H new ATOM 0 HD13 LEU A 12 -3.711 -15.897 -23.408 1.00 51.14 H new ATOM 0 HD21 LEU A 12 -1.257 -14.056 -23.023 1.00 60.24 H new ATOM 0 HD22 LEU A 12 -2.588 -13.689 -24.146 1.00 60.24 H new ATOM 0 HD23 LEU A 12 -2.132 -12.511 -22.893 1.00 60.24 H new ATOM 195 N GLU A 13 -6.421 -10.499 -21.425 1.00 22.00 N ATOM 196 CA GLU A 13 -7.744 -9.876 -21.496 1.00 22.14 C ATOM 197 C GLU A 13 -7.753 -8.733 -22.514 1.00 41.33 C ATOM 198 O GLU A 13 -8.636 -7.874 -22.490 1.00 42.24 O ATOM 199 CB GLU A 13 -8.147 -9.346 -20.111 1.00 43.13 C ATOM 200 CG GLU A 13 -8.247 -10.425 -19.035 1.00 63.33 C ATOM 201 CD GLU A 13 -8.511 -9.845 -17.654 1.00 30.35 C ATOM 202 OE1 GLU A 13 -9.693 -9.650 -17.294 1.00 14.15 O ATOM 203 OE2 GLU A 13 -7.535 -9.560 -16.928 1.00 43.21 O ATOM 0 H GLU A 13 -5.824 -10.120 -20.690 1.00 22.00 H new ATOM 0 HA GLU A 13 -8.463 -10.629 -21.818 1.00 22.14 H new ATOM 0 HB2 GLU A 13 -7.420 -8.599 -19.794 1.00 43.13 H new ATOM 0 HB3 GLU A 13 -9.109 -8.840 -20.193 1.00 43.13 H new ATOM 0 HG2 GLU A 13 -9.047 -11.119 -19.294 1.00 63.33 H new ATOM 0 HG3 GLU A 13 -7.321 -11.000 -19.014 1.00 63.33 H new ATOM 210 N ALA A 14 -6.769 -8.734 -23.409 1.00 14.03 N ATOM 211 CA ALA A 14 -6.629 -7.679 -24.405 1.00 33.23 C ATOM 212 C ALA A 14 -7.503 -7.964 -25.626 1.00 11.25 C ATOM 213 O ALA A 14 -7.219 -8.878 -26.404 1.00 22.03 O ATOM 214 CB ALA A 14 -5.166 -7.528 -24.811 1.00 1.45 C ATOM 0 H ALA A 14 -6.053 -9.459 -23.464 1.00 14.03 H new ATOM 0 HA ALA A 14 -6.965 -6.741 -23.964 1.00 33.23 H new ATOM 0 HB1 ALA A 14 -5.075 -6.737 -25.555 1.00 1.45 H new ATOM 0 HB2 ALA A 14 -4.570 -7.273 -23.935 1.00 1.45 H new ATOM 0 HB3 ALA A 14 -4.807 -8.467 -25.233 1.00 1.45 H new ATOM 220 N GLN A 15 -8.592 -7.201 -25.751 1.00 71.12 N ATOM 221 CA GLN A 15 -9.501 -7.272 -26.906 1.00 54.40 C ATOM 222 C GLN A 15 -10.305 -8.580 -26.929 1.00 43.42 C ATOM 223 O GLN A 15 -11.192 -8.756 -27.772 1.00 31.11 O ATOM 224 CB GLN A 15 -8.732 -7.105 -28.234 1.00 11.24 C ATOM 225 CG GLN A 15 -7.932 -5.807 -28.344 1.00 43.33 C ATOM 226 CD GLN A 15 -8.794 -4.558 -28.226 1.00 41.31 C ATOM 227 OE1 GLN A 15 -8.985 -4.024 -27.130 1.00 20.25 O ATOM 228 NE2 GLN A 15 -9.313 -4.086 -29.352 1.00 24.31 N ATOM 0 H GLN A 15 -8.872 -6.512 -25.053 1.00 71.12 H new ATOM 0 HA GLN A 15 -10.204 -6.446 -26.799 1.00 54.40 H new ATOM 0 HB2 GLN A 15 -8.051 -7.948 -28.354 1.00 11.24 H new ATOM 0 HB3 GLN A 15 -9.443 -7.150 -29.059 1.00 11.24 H new ATOM 0 HG2 GLN A 15 -7.171 -5.790 -27.564 1.00 43.33 H new ATOM 0 HG3 GLN A 15 -7.409 -5.790 -29.300 1.00 43.33 H new ATOM 0 HE21 GLN A 15 -9.129 -4.560 -30.236 1.00 24.31 H new ATOM 0 HE22 GLN A 15 -9.896 -3.249 -29.333 1.00 24.31 H new ATOM 237 N THR A 16 -10.008 -9.489 -26.006 1.00 0.12 N ATOM 238 CA THR A 16 -10.689 -10.775 -25.951 1.00 75.23 C ATOM 239 C THR A 16 -12.079 -10.624 -25.329 1.00 40.03 C ATOM 240 O THR A 16 -12.257 -10.749 -24.114 1.00 21.31 O ATOM 241 CB THR A 16 -9.856 -11.819 -25.167 1.00 75.20 C ATOM 242 OG1 THR A 16 -9.418 -11.260 -23.919 1.00 44.10 O ATOM 243 CG2 THR A 16 -8.643 -12.277 -25.978 1.00 2.15 C ATOM 0 H THR A 16 -9.299 -9.357 -25.285 1.00 0.12 H new ATOM 0 HA THR A 16 -10.803 -11.135 -26.974 1.00 75.23 H new ATOM 0 HB THR A 16 -10.491 -12.685 -24.977 1.00 75.20 H new ATOM 0 HG1 THR A 16 -8.491 -11.528 -23.748 1.00 44.10 H new ATOM 0 HG21 THR A 16 -8.077 -13.010 -25.403 1.00 2.15 H new ATOM 0 HG22 THR A 16 -8.979 -12.729 -26.911 1.00 2.15 H new ATOM 0 HG23 THR A 16 -8.008 -11.419 -26.199 1.00 2.15 H new ATOM 251 N GLN A 17 -13.058 -10.315 -26.174 1.00 23.22 N ATOM 252 CA GLN A 17 -14.441 -10.134 -25.734 1.00 3.02 C ATOM 253 C GLN A 17 -15.411 -10.727 -26.754 1.00 51.13 C ATOM 254 O GLN A 17 -16.626 -10.505 -26.680 1.00 53.23 O ATOM 255 CB GLN A 17 -14.727 -8.639 -25.525 1.00 70.42 C ATOM 256 CG GLN A 17 -14.468 -7.778 -26.760 1.00 72.33 C ATOM 257 CD GLN A 17 -14.619 -6.291 -26.487 1.00 71.23 C ATOM 258 OE1 GLN A 17 -14.374 -5.822 -25.374 1.00 71.31 O ATOM 259 NE2 GLN A 17 -15.021 -5.538 -27.500 1.00 44.13 N ATOM 0 H GLN A 17 -12.919 -10.183 -27.176 1.00 23.22 H new ATOM 0 HA GLN A 17 -14.582 -10.658 -24.788 1.00 3.02 H new ATOM 0 HB2 GLN A 17 -15.767 -8.518 -25.222 1.00 70.42 H new ATOM 0 HB3 GLN A 17 -14.111 -8.273 -24.704 1.00 70.42 H new ATOM 0 HG2 GLN A 17 -13.461 -7.974 -27.129 1.00 72.33 H new ATOM 0 HG3 GLN A 17 -15.159 -8.069 -27.551 1.00 72.33 H new ATOM 0 HE21 GLN A 17 -15.214 -5.964 -28.407 1.00 44.13 H new ATOM 0 HE22 GLN A 17 -15.138 -4.533 -27.373 1.00 44.13 H new ATOM 268 N GLY A 18 -14.875 -11.517 -27.681 1.00 10.21 N ATOM 269 CA GLY A 18 -15.681 -12.094 -28.742 1.00 61.13 C ATOM 270 C GLY A 18 -15.331 -11.523 -30.104 1.00 70.32 C ATOM 271 O GLY A 18 -15.929 -10.536 -30.538 1.00 74.25 O ATOM 0 H GLY A 18 -13.887 -11.769 -27.715 1.00 10.21 H new ATOM 0 HA2 GLY A 18 -15.540 -13.175 -28.756 1.00 61.13 H new ATOM 0 HA3 GLY A 18 -16.736 -11.913 -28.534 1.00 61.13 H new ATOM 275 N PRO A 19 -14.350 -12.118 -30.804 1.00 71.50 N ATOM 276 CA PRO A 19 -13.918 -11.645 -32.121 1.00 35.41 C ATOM 277 C PRO A 19 -14.876 -12.071 -33.240 1.00 54.13 C ATOM 278 O PRO A 19 -15.136 -13.261 -33.432 1.00 73.40 O ATOM 279 CB PRO A 19 -12.547 -12.312 -32.289 1.00 23.33 C ATOM 280 CG PRO A 19 -12.653 -13.587 -31.521 1.00 14.54 C ATOM 281 CD PRO A 19 -13.580 -13.304 -30.362 1.00 31.43 C ATOM 0 HA PRO A 19 -13.891 -10.557 -32.184 1.00 35.41 H new ATOM 0 HB2 PRO A 19 -12.323 -12.499 -33.339 1.00 23.33 H new ATOM 0 HB3 PRO A 19 -11.748 -11.680 -31.900 1.00 23.33 H new ATOM 0 HG2 PRO A 19 -13.046 -14.388 -32.148 1.00 14.54 H new ATOM 0 HG3 PRO A 19 -11.674 -13.911 -31.167 1.00 14.54 H new ATOM 0 HD2 PRO A 19 -14.234 -14.152 -30.157 1.00 31.43 H new ATOM 0 HD3 PRO A 19 -13.025 -13.101 -29.446 1.00 31.43 H new ATOM 289 N GLY A 20 -15.403 -11.092 -33.970 1.00 31.23 N ATOM 290 CA GLY A 20 -16.261 -11.381 -35.109 1.00 1.24 C ATOM 291 C GLY A 20 -17.705 -10.981 -34.871 1.00 25.15 C ATOM 292 O GLY A 20 -17.985 -9.837 -34.494 1.00 53.44 O ATOM 0 H GLY A 20 -15.251 -10.099 -33.793 1.00 31.23 H new ATOM 0 HA2 GLY A 20 -15.883 -10.856 -35.986 1.00 1.24 H new ATOM 0 HA3 GLY A 20 -16.216 -12.447 -35.332 1.00 1.24 H new ATOM 296 N SER A 21 -18.618 -11.924 -35.085 1.00 21.21 N ATOM 297 CA SER A 21 -20.051 -11.675 -34.953 1.00 53.15 C ATOM 298 C SER A 21 -20.453 -11.575 -33.478 1.00 14.20 C ATOM 299 O SER A 21 -20.949 -12.538 -32.890 1.00 73.52 O ATOM 300 CB SER A 21 -20.839 -12.795 -35.649 1.00 54.50 C ATOM 301 OG SER A 21 -20.315 -13.059 -36.943 1.00 2.55 O ATOM 0 H SER A 21 -18.387 -12.880 -35.354 1.00 21.21 H new ATOM 0 HA SER A 21 -20.286 -10.724 -35.431 1.00 53.15 H new ATOM 0 HB2 SER A 21 -20.800 -13.702 -35.045 1.00 54.50 H new ATOM 0 HB3 SER A 21 -21.888 -12.511 -35.729 1.00 54.50 H new ATOM 0 HG SER A 21 -21.047 -13.076 -37.595 1.00 2.55 H new ATOM 307 N MET A 22 -20.195 -10.416 -32.877 1.00 23.10 N ATOM 308 CA MET A 22 -20.553 -10.163 -31.477 1.00 1.00 C ATOM 309 C MET A 22 -21.027 -8.722 -31.311 1.00 72.15 C ATOM 310 O MET A 22 -22.069 -8.461 -30.707 1.00 54.32 O ATOM 311 CB MET A 22 -19.359 -10.430 -30.541 1.00 40.45 C ATOM 312 CG MET A 22 -18.964 -11.898 -30.429 1.00 23.11 C ATOM 313 SD MET A 22 -20.259 -12.916 -29.693 1.00 11.22 S ATOM 314 CE MET A 22 -19.447 -14.514 -29.654 1.00 2.32 C ATOM 0 H MET A 22 -19.736 -9.630 -33.338 1.00 23.10 H new ATOM 0 HA MET A 22 -21.360 -10.844 -31.206 1.00 1.00 H new ATOM 0 HB2 MET A 22 -18.500 -9.861 -30.896 1.00 40.45 H new ATOM 0 HB3 MET A 22 -19.601 -10.054 -29.547 1.00 40.45 H new ATOM 0 HG2 MET A 22 -18.726 -12.282 -31.421 1.00 23.11 H new ATOM 0 HG3 MET A 22 -18.058 -11.981 -29.829 1.00 23.11 H new ATOM 0 HE1 MET A 22 -20.121 -15.254 -29.224 1.00 2.32 H new ATOM 0 HE2 MET A 22 -19.181 -14.812 -30.668 1.00 2.32 H new ATOM 0 HE3 MET A 22 -18.544 -14.449 -29.046 1.00 2.32 H new ATOM 324 N SER A 23 -20.249 -7.794 -31.858 1.00 10.14 N ATOM 325 CA SER A 23 -20.574 -6.373 -31.803 1.00 32.11 C ATOM 326 C SER A 23 -19.875 -5.643 -32.950 1.00 62.52 C ATOM 327 O SER A 23 -19.169 -6.268 -33.752 1.00 32.10 O ATOM 328 CB SER A 23 -20.162 -5.780 -30.443 1.00 71.33 C ATOM 329 OG SER A 23 -20.579 -4.430 -30.318 1.00 5.30 O ATOM 0 H SER A 23 -19.380 -8.004 -32.349 1.00 10.14 H new ATOM 0 HA SER A 23 -21.651 -6.246 -31.911 1.00 32.11 H new ATOM 0 HB2 SER A 23 -20.598 -6.373 -29.639 1.00 71.33 H new ATOM 0 HB3 SER A 23 -19.079 -5.840 -30.332 1.00 71.33 H new ATOM 0 HG SER A 23 -20.304 -4.082 -29.444 1.00 5.30 H new ATOM 335 N ALA A 24 -20.069 -4.331 -33.026 1.00 60.44 N ATOM 336 CA ALA A 24 -19.500 -3.522 -34.095 1.00 54.02 C ATOM 337 C ALA A 24 -18.276 -2.761 -33.594 1.00 62.11 C ATOM 338 O ALA A 24 -18.397 -1.698 -32.986 1.00 62.02 O ATOM 339 CB ALA A 24 -20.552 -2.559 -34.643 1.00 34.21 C ATOM 0 H ALA A 24 -20.622 -3.802 -32.352 1.00 60.44 H new ATOM 0 HA ALA A 24 -19.182 -4.181 -34.903 1.00 54.02 H new ATOM 0 HB1 ALA A 24 -20.115 -1.959 -35.442 1.00 34.21 H new ATOM 0 HB2 ALA A 24 -21.396 -3.127 -35.035 1.00 34.21 H new ATOM 0 HB3 ALA A 24 -20.896 -1.903 -33.844 1.00 34.21 H new ATOM 345 N GLN A 25 -17.100 -3.333 -33.821 1.00 52.11 N ATOM 346 CA GLN A 25 -15.844 -2.692 -33.439 1.00 33.31 C ATOM 347 C GLN A 25 -15.296 -1.870 -34.601 1.00 11.54 C ATOM 348 O GLN A 25 -15.295 -2.327 -35.745 1.00 33.33 O ATOM 349 CB GLN A 25 -14.814 -3.750 -33.012 1.00 24.32 C ATOM 350 CG GLN A 25 -15.187 -4.489 -31.729 1.00 62.34 C ATOM 351 CD GLN A 25 -15.068 -3.620 -30.482 1.00 50.24 C ATOM 352 OE1 GLN A 25 -15.851 -3.756 -29.540 1.00 54.31 O ATOM 353 NE2 GLN A 25 -14.054 -2.767 -30.436 1.00 0.52 N ATOM 0 H GLN A 25 -16.988 -4.242 -34.269 1.00 52.11 H new ATOM 0 HA GLN A 25 -16.036 -2.027 -32.597 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -14.697 -4.475 -33.817 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -13.847 -3.267 -32.874 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -16.210 -4.856 -31.813 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -14.543 -5.362 -31.619 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -13.425 -2.679 -31.234 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -13.903 -2.198 -29.603 1.00 0.52 H new ATOM 362 N LEU A 26 -14.845 -0.658 -34.305 1.00 30.13 N ATOM 363 CA LEU A 26 -14.211 0.198 -35.298 1.00 12.14 C ATOM 364 C LEU A 26 -12.912 0.741 -34.705 1.00 51.43 C ATOM 365 O LEU A 26 -12.925 1.658 -33.883 1.00 61.15 O ATOM 366 CB LEU A 26 -15.167 1.338 -35.712 1.00 71.53 C ATOM 367 CG LEU A 26 -14.818 2.087 -37.021 1.00 4.02 C ATOM 368 CD1 LEU A 26 -15.996 2.945 -37.479 1.00 1.33 C ATOM 369 CD2 LEU A 26 -13.568 2.956 -36.855 1.00 14.44 C ATOM 0 H LEU A 26 -14.908 -0.243 -33.375 1.00 30.13 H new ATOM 0 HA LEU A 26 -13.982 -0.370 -36.199 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -16.170 0.923 -35.813 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -15.203 2.066 -34.901 1.00 71.53 H new ATOM 0 HG LEU A 26 -14.608 1.336 -37.782 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -15.732 3.464 -38.400 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -16.863 2.308 -37.657 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -16.235 3.676 -36.707 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -13.353 3.467 -37.793 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -13.739 3.694 -36.071 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -12.721 2.327 -36.582 1.00 14.44 H new ATOM 381 N GLU A 27 -11.800 0.148 -35.118 1.00 2.20 N ATOM 382 CA GLU A 27 -10.481 0.485 -34.589 1.00 14.02 C ATOM 383 C GLU A 27 -9.455 0.413 -35.715 1.00 65.33 C ATOM 384 O GLU A 27 -9.357 -0.607 -36.401 1.00 60.33 O ATOM 385 CB GLU A 27 -10.091 -0.495 -33.467 1.00 53.11 C ATOM 386 CG GLU A 27 -11.063 -0.522 -32.289 1.00 1.14 C ATOM 387 CD GLU A 27 -10.776 -1.658 -31.318 1.00 4.22 C ATOM 388 OE1 GLU A 27 -11.307 -2.769 -31.531 1.00 35.30 O ATOM 389 OE2 GLU A 27 -10.016 -1.447 -30.347 1.00 43.34 O ATOM 0 H GLU A 27 -11.785 -0.582 -35.830 1.00 2.20 H new ATOM 0 HA GLU A 27 -10.506 1.494 -34.178 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -10.019 -1.499 -33.886 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -9.100 -0.231 -33.099 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -11.009 0.428 -31.757 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -12.081 -0.619 -32.665 1.00 1.14 H new ATOM 396 N LYS A 28 -8.708 1.493 -35.921 1.00 20.23 N ATOM 397 CA LYS A 28 -7.687 1.528 -36.966 1.00 1.42 C ATOM 398 C LYS A 28 -6.333 1.919 -36.377 1.00 24.22 C ATOM 399 O LYS A 28 -6.211 2.932 -35.688 1.00 43.22 O ATOM 400 CB LYS A 28 -8.090 2.489 -38.098 1.00 13.42 C ATOM 401 CG LYS A 28 -8.229 3.948 -37.674 1.00 53.12 C ATOM 402 CD LYS A 28 -8.678 4.831 -38.837 1.00 50.34 C ATOM 403 CE LYS A 28 -8.638 6.312 -38.475 1.00 71.00 C ATOM 404 NZ LYS A 28 -9.523 6.640 -37.325 1.00 31.34 N ATOM 0 H LYS A 28 -8.789 2.354 -35.380 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.600 0.528 -37.392 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.347 2.425 -38.893 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -9.038 2.155 -38.520 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -8.949 4.024 -36.860 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.275 4.308 -37.290 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -8.036 4.650 -39.699 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -9.691 4.556 -39.131 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -7.614 6.597 -38.234 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -8.938 6.903 -39.341 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -9.500 7.665 -37.150 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -10.497 6.348 -37.542 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -9.191 6.137 -36.477 1.00 31.34 H new ATOM 418 N LYS A 29 -5.331 1.086 -36.634 1.00 10.31 N ATOM 419 CA LYS A 29 -3.974 1.309 -36.139 1.00 4.51 C ATOM 420 C LYS A 29 -3.048 1.692 -37.291 1.00 32.22 C ATOM 421 O LYS A 29 -2.912 0.937 -38.252 1.00 50.14 O ATOM 422 CB LYS A 29 -3.458 0.033 -35.450 1.00 34.44 C ATOM 423 CG LYS A 29 -2.003 0.110 -34.987 1.00 63.44 C ATOM 424 CD LYS A 29 -1.534 -1.220 -34.401 1.00 73.32 C ATOM 425 CE LYS A 29 -0.070 -1.175 -33.978 1.00 34.34 C ATOM 426 NZ LYS A 29 0.388 -2.473 -33.410 1.00 5.41 N ATOM 0 H LYS A 29 -5.434 0.237 -37.191 1.00 10.31 H new ATOM 0 HA LYS A 29 -3.989 2.126 -35.417 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -4.090 -0.181 -34.588 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -3.564 -0.805 -36.139 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -1.366 0.384 -35.828 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -1.899 0.896 -34.239 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -2.152 -1.475 -33.540 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -1.674 -2.010 -35.139 1.00 73.32 H new ATOM 0 HE2 LYS A 29 0.548 -0.918 -34.838 1.00 34.34 H new ATOM 0 HE3 LYS A 29 0.069 -0.387 -33.238 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 1.388 -2.398 -33.136 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -0.184 -2.707 -32.573 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 0.280 -3.222 -34.124 1.00 5.41 H new ATOM 440 N VAL A 30 -2.431 2.869 -37.202 1.00 1.11 N ATOM 441 CA VAL A 30 -1.476 3.311 -38.217 1.00 62.04 C ATOM 442 C VAL A 30 -0.259 2.381 -38.228 1.00 61.23 C ATOM 443 O VAL A 30 0.592 2.445 -37.340 1.00 52.32 O ATOM 444 CB VAL A 30 -1.017 4.775 -37.987 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.051 5.224 -39.087 1.00 33.10 C ATOM 446 CG2 VAL A 30 -2.224 5.713 -37.912 1.00 70.43 C ATOM 0 H VAL A 30 -2.574 3.532 -36.440 1.00 1.11 H new ATOM 0 HA VAL A 30 -1.981 3.272 -39.182 1.00 62.04 H new ATOM 0 HB VAL A 30 -0.489 4.819 -37.035 1.00 12.12 H new ATOM 0 HG11 VAL A 30 0.256 6.254 -38.903 1.00 33.10 H new ATOM 0 HG12 VAL A 30 0.827 4.578 -39.086 1.00 33.10 H new ATOM 0 HG13 VAL A 30 -0.547 5.161 -40.055 1.00 33.10 H new ATOM 0 HG21 VAL A 30 -1.881 6.735 -37.750 1.00 70.43 H new ATOM 0 HG22 VAL A 30 -2.783 5.661 -38.846 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -2.868 5.412 -37.086 1.00 70.43 H new ATOM 456 N LEU A 31 -0.203 1.502 -39.221 1.00 3.31 N ATOM 457 CA LEU A 31 0.858 0.502 -39.316 1.00 51.44 C ATOM 458 C LEU A 31 2.043 1.056 -40.102 1.00 63.53 C ATOM 459 O LEU A 31 3.158 0.541 -40.018 1.00 71.22 O ATOM 460 CB LEU A 31 0.316 -0.768 -39.982 1.00 73.13 C ATOM 461 CG LEU A 31 1.288 -1.961 -40.025 1.00 33.10 C ATOM 462 CD1 LEU A 31 1.670 -2.403 -38.613 1.00 41.32 C ATOM 463 CD2 LEU A 31 0.679 -3.120 -40.810 1.00 61.33 C ATOM 0 H LEU A 31 -0.885 1.460 -39.978 1.00 3.31 H new ATOM 0 HA LEU A 31 1.202 0.253 -38.312 1.00 51.44 H new ATOM 0 HB2 LEU A 31 -0.587 -1.076 -39.455 1.00 73.13 H new ATOM 0 HB3 LEU A 31 0.022 -0.525 -41.003 1.00 73.13 H new ATOM 0 HG LEU A 31 2.197 -1.642 -40.535 1.00 33.10 H new ATOM 0 HD11 LEU A 31 2.357 -3.247 -38.669 1.00 41.32 H new ATOM 0 HD12 LEU A 31 2.152 -1.577 -38.091 1.00 41.32 H new ATOM 0 HD13 LEU A 31 0.773 -2.701 -38.070 1.00 41.32 H new ATOM 0 HD21 LEU A 31 1.380 -3.954 -40.830 1.00 61.33 H new ATOM 0 HD22 LEU A 31 -0.248 -3.436 -40.331 1.00 61.33 H new ATOM 0 HD23 LEU A 31 0.469 -2.798 -41.830 1.00 61.33 H new ATOM 475 N THR A 32 1.788 2.100 -40.879 1.00 73.42 N ATOM 476 CA THR A 32 2.827 2.764 -41.654 1.00 63.14 C ATOM 477 C THR A 32 2.485 4.246 -41.812 1.00 74.03 C ATOM 478 O THR A 32 1.522 4.584 -42.498 1.00 24.43 O ATOM 479 CB THR A 32 2.977 2.122 -43.056 1.00 71.24 C ATOM 480 OG1 THR A 32 3.189 0.707 -42.931 1.00 42.12 O ATOM 481 CG2 THR A 32 4.137 2.740 -43.832 1.00 61.24 C ATOM 0 H THR A 32 0.860 2.509 -40.990 1.00 73.42 H new ATOM 0 HA THR A 32 3.770 2.653 -41.119 1.00 63.14 H new ATOM 0 HB THR A 32 2.055 2.311 -43.606 1.00 71.24 H new ATOM 0 HG1 THR A 32 4.110 0.490 -43.187 1.00 42.12 H new ATOM 0 HG21 THR A 32 4.213 2.266 -44.811 1.00 61.24 H new ATOM 0 HG22 THR A 32 3.962 3.808 -43.959 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.065 2.587 -43.282 1.00 61.24 H new ATOM 489 N PRO A 33 3.251 5.145 -41.164 1.00 53.10 N ATOM 490 CA PRO A 33 3.018 6.591 -41.265 1.00 31.44 C ATOM 491 C PRO A 33 3.296 7.114 -42.673 1.00 3.51 C ATOM 492 O PRO A 33 4.346 6.826 -43.259 1.00 22.31 O ATOM 493 CB PRO A 33 4.006 7.187 -40.252 1.00 1.05 C ATOM 494 CG PRO A 33 5.076 6.157 -40.115 1.00 71.12 C ATOM 495 CD PRO A 33 4.390 4.829 -40.283 1.00 42.35 C ATOM 0 HA PRO A 33 1.981 6.859 -41.061 1.00 31.44 H new ATOM 0 HB2 PRO A 33 4.412 8.135 -40.605 1.00 1.05 H new ATOM 0 HB3 PRO A 33 3.522 7.384 -39.296 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.851 6.295 -40.869 1.00 71.12 H new ATOM 0 HG3 PRO A 33 5.563 6.226 -39.142 1.00 71.12 H new ATOM 0 HD2 PRO A 33 5.052 4.088 -40.731 1.00 42.35 H new ATOM 0 HD3 PRO A 33 4.059 4.423 -39.327 1.00 42.35 H new ATOM 503 N GLY A 34 2.351 7.876 -43.209 1.00 1.22 N ATOM 504 CA GLY A 34 2.487 8.415 -44.548 1.00 71.12 C ATOM 505 C GLY A 34 3.267 9.714 -44.575 1.00 51.22 C ATOM 506 O GLY A 34 4.104 9.965 -43.705 1.00 33.52 O ATOM 0 H GLY A 34 1.485 8.132 -42.735 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.986 7.682 -45.182 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.496 8.581 -44.972 1.00 71.12 H new ATOM 510 N ASP A 35 2.992 10.537 -45.577 1.00 1.32 N ATOM 511 CA ASP A 35 3.660 11.828 -45.733 1.00 65.45 C ATOM 512 C ASP A 35 3.052 12.857 -44.782 1.00 14.34 C ATOM 513 O ASP A 35 3.750 13.714 -44.240 1.00 32.43 O ATOM 514 CB ASP A 35 3.539 12.315 -47.187 1.00 64.24 C ATOM 515 CG ASP A 35 2.104 12.644 -47.586 1.00 72.41 C ATOM 516 OD1 ASP A 35 1.175 11.922 -47.166 1.00 4.21 O ATOM 517 OD2 ASP A 35 1.897 13.622 -48.326 1.00 51.11 O ATOM 0 H ASP A 35 2.304 10.334 -46.302 1.00 1.32 H new ATOM 0 HA ASP A 35 4.715 11.707 -45.489 1.00 65.45 H new ATOM 0 HB2 ASP A 35 4.160 13.201 -47.321 1.00 64.24 H new ATOM 0 HB3 ASP A 35 3.930 11.548 -47.855 1.00 64.24 H new ATOM 522 N GLY A 36 1.736 12.766 -44.600 1.00 33.03 N ATOM 523 CA GLY A 36 1.035 13.634 -43.669 1.00 42.44 C ATOM 524 C GLY A 36 0.730 15.009 -44.241 1.00 51.13 C ATOM 525 O GLY A 36 -0.133 15.725 -43.724 1.00 23.41 O ATOM 0 H GLY A 36 1.138 12.099 -45.087 1.00 33.03 H new ATOM 0 HA2 GLY A 36 0.101 13.157 -43.371 1.00 42.44 H new ATOM 0 HA3 GLY A 36 1.636 13.749 -42.767 1.00 42.44 H new ATOM 529 N VAL A 37 1.423 15.380 -45.316 1.00 62.44 N ATOM 530 CA VAL A 37 1.309 16.726 -45.871 1.00 70.24 C ATOM 531 C VAL A 37 0.193 16.823 -46.912 1.00 51.32 C ATOM 532 O VAL A 37 -0.286 17.923 -47.211 1.00 73.24 O ATOM 533 CB VAL A 37 2.649 17.211 -46.485 1.00 11.24 C ATOM 534 CG1 VAL A 37 3.765 17.166 -45.441 1.00 11.54 C ATOM 535 CG2 VAL A 37 3.029 16.394 -47.719 1.00 52.31 C ATOM 0 H VAL A 37 2.067 14.769 -45.818 1.00 62.44 H new ATOM 0 HA VAL A 37 1.055 17.380 -45.037 1.00 70.24 H new ATOM 0 HB VAL A 37 2.513 18.244 -46.804 1.00 11.24 H new ATOM 0 HG11 VAL A 37 4.697 17.510 -45.890 1.00 11.54 H new ATOM 0 HG12 VAL A 37 3.506 17.813 -44.603 1.00 11.54 H new ATOM 0 HG13 VAL A 37 3.889 16.143 -45.085 1.00 11.54 H new ATOM 0 HG21 VAL A 37 3.973 16.762 -48.122 1.00 52.31 H new ATOM 0 HG22 VAL A 37 3.137 15.345 -47.442 1.00 52.31 H new ATOM 0 HG23 VAL A 37 2.249 16.491 -48.474 1.00 52.31 H new ATOM 545 N THR A 38 -0.217 15.687 -47.472 1.00 10.01 N ATOM 546 CA THR A 38 -1.331 15.656 -48.419 1.00 12.05 C ATOM 547 C THR A 38 -2.672 15.691 -47.690 1.00 25.34 C ATOM 548 O THR A 38 -2.817 15.133 -46.599 1.00 54.22 O ATOM 549 CB THR A 38 -1.279 14.406 -49.334 1.00 44.23 C ATOM 550 OG1 THR A 38 -0.985 13.236 -48.556 1.00 15.11 O ATOM 551 CG2 THR A 38 -0.240 14.569 -50.439 1.00 33.03 C ATOM 0 H THR A 38 0.204 14.777 -47.287 1.00 10.01 H new ATOM 0 HA THR A 38 -1.234 16.545 -49.042 1.00 12.05 H new ATOM 0 HB THR A 38 -2.257 14.293 -49.802 1.00 44.23 H new ATOM 0 HG1 THR A 38 -1.821 12.833 -48.242 1.00 15.11 H new ATOM 0 HG21 THR A 38 -0.229 13.675 -51.063 1.00 33.03 H new ATOM 0 HG22 THR A 38 -0.492 15.435 -51.051 1.00 33.03 H new ATOM 0 HG23 THR A 38 0.745 14.713 -49.994 1.00 33.03 H new ATOM 559 N LYS A 39 -3.643 16.373 -48.290 1.00 43.31 N ATOM 560 CA LYS A 39 -5.005 16.401 -47.772 1.00 13.11 C ATOM 561 C LYS A 39 -5.962 15.779 -48.795 1.00 41.21 C ATOM 562 O LYS A 39 -6.378 16.436 -49.749 1.00 63.14 O ATOM 563 CB LYS A 39 -5.430 17.838 -47.415 1.00 22.03 C ATOM 564 CG LYS A 39 -5.189 18.866 -48.520 1.00 14.54 C ATOM 565 CD LYS A 39 -5.777 20.241 -48.174 1.00 41.50 C ATOM 566 CE LYS A 39 -7.295 20.304 -48.372 1.00 4.21 C ATOM 567 NZ LYS A 39 -8.042 19.391 -47.462 1.00 32.51 N ATOM 0 H LYS A 39 -3.509 16.917 -49.142 1.00 43.31 H new ATOM 0 HA LYS A 39 -5.045 15.813 -46.855 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -6.490 17.837 -47.163 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -4.890 18.151 -46.521 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -4.118 18.965 -48.694 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -5.631 18.508 -49.450 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -5.540 20.482 -47.138 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -5.302 21.001 -48.795 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -7.634 21.327 -48.209 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -7.531 20.050 -49.405 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -8.996 19.770 -47.297 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -8.114 18.449 -47.898 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -7.538 19.315 -46.556 1.00 32.51 H new ATOM 581 N PRO A 40 -6.282 14.479 -48.632 1.00 42.33 N ATOM 582 CA PRO A 40 -7.147 13.742 -49.569 1.00 34.02 C ATOM 583 C PRO A 40 -8.516 14.399 -49.770 1.00 15.53 C ATOM 584 O PRO A 40 -9.086 14.983 -48.842 1.00 20.24 O ATOM 585 CB PRO A 40 -7.305 12.363 -48.904 1.00 14.44 C ATOM 586 CG PRO A 40 -6.105 12.229 -48.029 1.00 71.04 C ATOM 587 CD PRO A 40 -5.819 13.618 -47.524 1.00 13.23 C ATOM 0 HA PRO A 40 -6.711 13.706 -50.567 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -8.227 12.305 -48.325 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -7.345 11.567 -49.647 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -6.296 11.543 -47.204 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -5.256 11.831 -48.585 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -6.355 13.829 -46.599 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -4.758 13.762 -47.318 1.00 13.23 H new ATOM 595 N GLN A 41 -9.036 14.300 -50.990 1.00 71.30 N ATOM 596 CA GLN A 41 -10.356 14.824 -51.325 1.00 74.23 C ATOM 597 C GLN A 41 -11.108 13.822 -52.194 1.00 54.51 C ATOM 598 O GLN A 41 -10.500 13.107 -52.996 1.00 73.51 O ATOM 599 CB GLN A 41 -10.245 16.176 -52.048 1.00 32.32 C ATOM 600 CG GLN A 41 -9.376 16.142 -53.303 1.00 20.14 C ATOM 601 CD GLN A 41 -9.490 17.408 -54.133 1.00 75.11 C ATOM 602 OE1 GLN A 41 -10.543 18.048 -54.170 1.00 42.13 O ATOM 603 NE2 GLN A 41 -8.410 17.782 -54.804 1.00 32.25 N ATOM 0 H GLN A 41 -8.556 13.855 -51.772 1.00 71.30 H new ATOM 0 HA GLN A 41 -10.909 14.980 -50.399 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -11.245 16.513 -52.320 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -9.837 16.913 -51.357 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -8.335 15.995 -53.015 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -9.662 15.286 -53.914 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -7.557 17.226 -54.748 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -8.432 18.626 -55.376 1.00 32.25 H new ATOM 612 N ALA A 42 -12.421 13.764 -52.019 1.00 32.14 N ATOM 613 CA ALA A 42 -13.270 12.860 -52.785 1.00 64.43 C ATOM 614 C ALA A 42 -13.451 13.369 -54.214 1.00 53.00 C ATOM 615 O ALA A 42 -13.124 14.522 -54.517 1.00 74.42 O ATOM 616 CB ALA A 42 -14.618 12.699 -52.096 1.00 22.33 C ATOM 0 H ALA A 42 -12.927 14.339 -51.345 1.00 32.14 H new ATOM 0 HA ALA A 42 -12.785 11.885 -52.834 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -15.245 12.022 -52.676 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -14.469 12.289 -51.097 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -15.106 13.670 -52.021 1.00 22.33 H new ATOM 622 N GLY A 43 -13.959 12.504 -55.086 1.00 22.23 N ATOM 623 CA GLY A 43 -14.220 12.888 -56.463 1.00 40.21 C ATOM 624 C GLY A 43 -13.025 12.664 -57.370 1.00 65.14 C ATOM 625 O GLY A 43 -13.041 13.066 -58.536 1.00 43.04 O ATOM 0 H GLY A 43 -14.196 11.538 -54.862 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -15.069 12.318 -56.840 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.503 13.940 -56.495 1.00 40.21 H new ATOM 629 N LYS A 44 -11.983 12.025 -56.842 1.00 15.02 N ATOM 630 CA LYS A 44 -10.791 11.722 -57.632 1.00 4.12 C ATOM 631 C LYS A 44 -10.570 10.217 -57.734 1.00 2.42 C ATOM 632 O LYS A 44 -10.934 9.458 -56.828 1.00 21.32 O ATOM 633 CB LYS A 44 -9.532 12.361 -57.025 1.00 74.43 C ATOM 634 CG LYS A 44 -9.592 13.879 -56.854 1.00 13.21 C ATOM 635 CD LYS A 44 -8.191 14.497 -56.836 1.00 25.44 C ATOM 636 CE LYS A 44 -7.265 13.814 -55.832 1.00 74.31 C ATOM 637 NZ LYS A 44 -5.846 14.232 -56.012 1.00 24.40 N ATOM 0 H LYS A 44 -11.940 11.708 -55.874 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.961 12.138 -58.625 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.348 11.908 -56.051 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.678 12.116 -57.657 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -10.173 14.315 -57.667 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -10.110 14.122 -55.926 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -7.755 14.430 -57.833 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -8.268 15.557 -56.593 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -7.588 14.053 -54.819 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -7.342 12.733 -55.944 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -5.287 13.928 -55.189 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -5.461 13.793 -56.873 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -5.797 15.267 -56.100 1.00 24.40 H new ATOM 651 N LYS A 45 -9.974 9.796 -58.844 1.00 31.54 N ATOM 652 CA LYS A 45 -9.534 8.419 -59.018 1.00 2.24 C ATOM 653 C LYS A 45 -8.225 8.217 -58.253 1.00 43.32 C ATOM 654 O LYS A 45 -7.169 8.679 -58.690 1.00 1.42 O ATOM 655 CB LYS A 45 -9.342 8.112 -60.516 1.00 23.45 C ATOM 656 CG LYS A 45 -8.977 6.661 -60.820 1.00 51.53 C ATOM 657 CD LYS A 45 -10.121 5.686 -60.515 1.00 61.23 C ATOM 658 CE LYS A 45 -11.262 5.766 -61.533 1.00 43.20 C ATOM 659 NZ LYS A 45 -12.044 7.029 -61.436 1.00 55.24 N ATOM 0 H LYS A 45 -9.783 10.398 -59.645 1.00 31.54 H new ATOM 0 HA LYS A 45 -10.288 7.736 -58.626 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -10.261 8.362 -61.046 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -8.560 8.761 -60.910 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -8.700 6.573 -61.871 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -8.101 6.381 -60.235 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -9.729 4.669 -60.496 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -10.514 5.895 -59.520 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -10.851 5.677 -62.538 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -11.932 4.919 -61.386 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -12.897 6.955 -62.026 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -12.320 7.191 -60.447 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -11.462 7.824 -61.768 1.00 55.24 H new ATOM 673 N VAL A 46 -8.301 7.554 -57.104 1.00 62.24 N ATOM 674 CA VAL A 46 -7.151 7.422 -56.212 1.00 12.10 C ATOM 675 C VAL A 46 -6.566 6.011 -56.251 1.00 64.05 C ATOM 676 O VAL A 46 -7.275 5.026 -56.516 1.00 45.11 O ATOM 677 CB VAL A 46 -7.527 7.784 -54.750 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.979 9.241 -54.651 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.610 6.842 -54.215 1.00 33.14 C ATOM 0 H VAL A 46 -9.149 7.098 -56.766 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.396 8.123 -56.569 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.637 7.661 -54.132 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.237 9.472 -53.618 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -7.171 9.896 -54.978 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.851 9.395 -55.286 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -8.856 7.116 -53.189 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.502 6.923 -54.836 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.244 5.816 -54.238 1.00 33.14 H new ATOM 689 N THR A 47 -5.263 5.934 -55.984 1.00 20.33 N ATOM 690 CA THR A 47 -4.531 4.678 -55.967 1.00 43.45 C ATOM 691 C THR A 47 -4.368 4.187 -54.529 1.00 3.34 C ATOM 692 O THR A 47 -3.602 4.758 -53.744 1.00 53.32 O ATOM 693 CB THR A 47 -3.137 4.842 -56.614 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.267 5.427 -57.918 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.413 3.501 -56.722 1.00 54.21 C ATOM 0 H THR A 47 -4.686 6.748 -55.773 1.00 20.33 H new ATOM 0 HA THR A 47 -5.100 3.947 -56.542 1.00 43.45 H new ATOM 0 HB THR A 47 -2.546 5.498 -55.975 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.379 5.529 -58.321 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.436 3.651 -57.181 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.285 3.076 -55.727 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.001 2.818 -57.335 1.00 54.21 H new ATOM 703 N VAL A 48 -5.093 3.131 -54.192 1.00 1.43 N ATOM 704 CA VAL A 48 -5.093 2.569 -52.846 1.00 41.03 C ATOM 705 C VAL A 48 -4.680 1.100 -52.881 1.00 2.14 C ATOM 706 O VAL A 48 -4.404 0.544 -53.945 1.00 5.01 O ATOM 707 CB VAL A 48 -6.491 2.678 -52.187 1.00 25.31 C ATOM 708 CG1 VAL A 48 -7.002 4.116 -52.216 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.481 1.731 -52.860 1.00 31.14 C ATOM 0 H VAL A 48 -5.701 2.637 -54.845 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.378 3.143 -52.257 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.395 2.381 -51.142 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.985 4.162 -51.747 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -6.310 4.759 -51.673 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -7.077 4.455 -53.249 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.456 1.824 -52.382 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.569 1.987 -53.916 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -7.126 0.705 -52.764 1.00 31.14 H new ATOM 719 N HIS A 49 -4.611 0.487 -51.714 1.00 0.12 N ATOM 720 CA HIS A 49 -4.358 -0.939 -51.601 1.00 21.40 C ATOM 721 C HIS A 49 -4.948 -1.448 -50.295 1.00 62.51 C ATOM 722 O HIS A 49 -5.032 -0.702 -49.320 1.00 12.42 O ATOM 723 CB HIS A 49 -2.856 -1.234 -51.652 1.00 65.53 C ATOM 724 CG HIS A 49 -2.554 -2.694 -51.743 1.00 3.22 C ATOM 725 ND1 HIS A 49 -2.135 -3.451 -50.675 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.642 -3.545 -52.792 1.00 44.34 C ATOM 727 CE1 HIS A 49 -1.981 -4.698 -51.064 1.00 71.41 C ATOM 728 NE2 HIS A 49 -2.284 -4.786 -52.344 1.00 60.41 N ATOM 0 H HIS A 49 -4.728 0.962 -50.819 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.828 -1.450 -52.441 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.419 -0.723 -52.510 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.380 -0.824 -50.761 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -1.970 -3.101 -49.731 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -2.940 -3.290 -53.798 1.00 44.34 H new ATOM 0 HE1 HIS A 49 -1.659 -5.516 -50.437 1.00 71.41 H new ATOM 737 N TYR A 50 -5.375 -2.703 -50.280 1.00 14.34 N ATOM 738 CA TYR A 50 -5.917 -3.305 -49.073 1.00 11.42 C ATOM 739 C TYR A 50 -5.678 -4.808 -49.070 1.00 70.24 C ATOM 740 O TYR A 50 -5.582 -5.429 -50.132 1.00 63.33 O ATOM 741 CB TYR A 50 -7.418 -2.989 -48.926 1.00 61.52 C ATOM 742 CG TYR A 50 -8.274 -3.375 -50.126 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.426 -2.508 -51.207 1.00 71.34 C ATOM 744 CD2 TYR A 50 -8.939 -4.598 -50.173 1.00 44.43 C ATOM 745 CE1 TYR A 50 -9.210 -2.847 -52.292 1.00 2.23 C ATOM 746 CE2 TYR A 50 -9.724 -4.944 -51.259 1.00 51.13 C ATOM 747 CZ TYR A 50 -9.856 -4.065 -52.314 1.00 62.13 C ATOM 748 OH TYR A 50 -10.642 -4.404 -53.395 1.00 33.15 O ATOM 0 H TYR A 50 -5.356 -3.323 -51.090 1.00 14.34 H new ATOM 0 HA TYR A 50 -5.398 -2.875 -48.217 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -7.799 -3.506 -48.045 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -7.534 -1.921 -48.744 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -7.921 -1.553 -51.196 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -8.840 -5.288 -49.348 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -9.317 -2.161 -53.120 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -10.231 -5.897 -51.280 1.00 51.13 H new ATOM 0 HH TYR A 50 -11.025 -5.295 -53.254 1.00 33.15 H new ATOM 758 N ASP A 51 -5.584 -5.378 -47.874 1.00 4.52 N ATOM 759 CA ASP A 51 -5.382 -6.819 -47.703 1.00 51.23 C ATOM 760 C ASP A 51 -6.314 -7.329 -46.606 1.00 52.23 C ATOM 761 O ASP A 51 -6.434 -6.709 -45.547 1.00 72.43 O ATOM 762 CB ASP A 51 -3.919 -7.139 -47.332 1.00 43.42 C ATOM 763 CG ASP A 51 -2.917 -6.737 -48.411 1.00 52.30 C ATOM 764 OD1 ASP A 51 -2.671 -7.541 -49.344 1.00 62.22 O ATOM 765 OD2 ASP A 51 -2.371 -5.615 -48.329 1.00 54.15 O ATOM 0 H ASP A 51 -5.645 -4.860 -46.997 1.00 4.52 H new ATOM 0 HA ASP A 51 -5.606 -7.315 -48.647 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.667 -6.626 -46.404 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.826 -8.208 -47.141 1.00 43.42 H new ATOM 770 N GLY A 52 -6.975 -8.453 -46.867 1.00 64.23 N ATOM 771 CA GLY A 52 -7.971 -8.977 -45.942 1.00 20.04 C ATOM 772 C GLY A 52 -7.376 -9.911 -44.903 1.00 41.33 C ATOM 773 O GLY A 52 -6.516 -10.736 -45.224 1.00 22.22 O ATOM 0 H GLY A 52 -6.839 -9.015 -47.707 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.464 -8.146 -45.437 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.738 -9.509 -46.505 1.00 20.04 H new ATOM 777 N ARG A 53 -7.849 -9.794 -43.663 1.00 44.32 N ATOM 778 CA ARG A 53 -7.362 -10.616 -42.562 1.00 1.42 C ATOM 779 C ARG A 53 -8.515 -11.001 -41.632 1.00 33.53 C ATOM 780 O ARG A 53 -9.369 -10.166 -41.289 1.00 63.13 O ATOM 781 CB ARG A 53 -6.291 -9.866 -41.755 1.00 71.31 C ATOM 782 CG ARG A 53 -5.516 -10.765 -40.793 1.00 52.10 C ATOM 783 CD ARG A 53 -4.760 -9.974 -39.731 1.00 42.02 C ATOM 784 NE ARG A 53 -5.660 -9.460 -38.691 1.00 21.24 N ATOM 785 CZ ARG A 53 -5.345 -9.389 -37.394 1.00 61.51 C ATOM 786 NH1 ARG A 53 -4.136 -9.754 -36.980 1.00 32.45 N ATOM 787 NH2 ARG A 53 -6.235 -8.949 -36.514 1.00 4.41 N ATOM 0 H ARG A 53 -8.576 -9.130 -43.397 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.922 -11.518 -42.987 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.590 -9.395 -42.445 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.767 -9.066 -41.189 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -6.208 -11.451 -40.305 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -4.810 -11.373 -41.359 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -4.002 -10.611 -39.274 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -4.236 -9.142 -40.202 1.00 42.02 H new ATOM 0 HE ARG A 53 -6.584 -9.137 -38.976 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -3.446 -10.089 -37.653 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -3.898 -9.699 -35.990 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -7.163 -8.664 -36.826 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -5.991 -8.896 -35.525 1.00 4.41 H new ATOM 801 N PHE A 54 -8.523 -12.259 -41.216 1.00 54.13 N ATOM 802 CA PHE A 54 -9.530 -12.769 -40.294 1.00 71.03 C ATOM 803 C PHE A 54 -9.176 -12.368 -38.861 1.00 14.50 C ATOM 804 O PHE A 54 -7.997 -12.177 -38.545 1.00 62.12 O ATOM 805 CB PHE A 54 -9.617 -14.299 -40.400 1.00 75.12 C ATOM 806 CG PHE A 54 -9.934 -14.801 -41.788 1.00 4.21 C ATOM 807 CD1 PHE A 54 -11.248 -14.901 -42.220 1.00 43.03 C ATOM 808 CD2 PHE A 54 -8.918 -15.173 -42.659 1.00 10.32 C ATOM 809 CE1 PHE A 54 -11.541 -15.359 -43.490 1.00 64.24 C ATOM 810 CE2 PHE A 54 -9.207 -15.631 -43.929 1.00 10.31 C ATOM 811 CZ PHE A 54 -10.520 -15.725 -44.345 1.00 33.43 C ATOM 0 H PHE A 54 -7.835 -12.954 -41.506 1.00 54.13 H new ATOM 0 HA PHE A 54 -10.497 -12.340 -40.557 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -8.669 -14.730 -40.076 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -10.382 -14.658 -39.711 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -12.051 -14.618 -41.556 1.00 43.03 H new ATOM 0 HD2 PHE A 54 -7.889 -15.103 -42.339 1.00 10.32 H new ATOM 0 HE1 PHE A 54 -12.569 -15.431 -43.814 1.00 64.24 H new ATOM 0 HE2 PHE A 54 -8.407 -15.915 -44.596 1.00 10.31 H new ATOM 0 HZ PHE A 54 -10.748 -16.084 -45.338 1.00 33.43 H new ATOM 821 N PRO A 55 -10.183 -12.237 -37.969 1.00 32.51 N ATOM 822 CA PRO A 55 -9.951 -11.924 -36.548 1.00 12.25 C ATOM 823 C PRO A 55 -9.041 -12.958 -35.880 1.00 74.21 C ATOM 824 O PRO A 55 -8.462 -12.708 -34.821 1.00 2.34 O ATOM 825 CB PRO A 55 -11.361 -11.956 -35.932 1.00 42.22 C ATOM 826 CG PRO A 55 -12.285 -11.730 -37.082 1.00 14.43 C ATOM 827 CD PRO A 55 -11.623 -12.372 -38.272 1.00 41.45 C ATOM 0 HA PRO A 55 -9.446 -10.967 -36.413 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -11.559 -12.912 -35.447 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -11.478 -11.183 -35.172 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -13.262 -12.174 -36.892 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -12.446 -10.665 -37.251 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -11.916 -13.416 -38.381 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.888 -11.868 -39.201 1.00 41.45 H new ATOM 835 N ASP A 56 -8.933 -14.121 -36.519 1.00 72.30 N ATOM 836 CA ASP A 56 -8.055 -15.195 -36.064 1.00 2.21 C ATOM 837 C ASP A 56 -6.603 -14.729 -36.063 1.00 31.10 C ATOM 838 O ASP A 56 -5.835 -15.053 -35.157 1.00 51.45 O ATOM 839 CB ASP A 56 -8.205 -16.419 -36.976 1.00 33.21 C ATOM 840 CG ASP A 56 -9.642 -16.908 -37.066 1.00 3.34 C ATOM 841 OD1 ASP A 56 -10.448 -16.269 -37.775 1.00 1.05 O ATOM 842 OD2 ASP A 56 -9.975 -17.928 -36.430 1.00 33.45 O ATOM 0 H ASP A 56 -9.453 -14.345 -37.368 1.00 72.30 H new ATOM 0 HA ASP A 56 -8.339 -15.468 -35.048 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -7.847 -16.170 -37.975 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -7.573 -17.225 -36.603 1.00 33.21 H new ATOM 847 N GLY A 57 -6.238 -13.950 -37.082 1.00 5.43 N ATOM 848 CA GLY A 57 -4.877 -13.453 -37.201 1.00 3.42 C ATOM 849 C GLY A 57 -4.275 -13.739 -38.565 1.00 52.54 C ATOM 850 O GLY A 57 -3.294 -13.107 -38.960 1.00 13.40 O ATOM 0 H GLY A 57 -6.865 -13.654 -37.830 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -4.868 -12.378 -37.021 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -4.257 -13.910 -36.430 1.00 3.42 H new ATOM 854 N LYS A 58 -4.856 -14.697 -39.284 1.00 22.23 N ATOM 855 CA LYS A 58 -4.364 -15.072 -40.610 1.00 64.14 C ATOM 856 C LYS A 58 -4.980 -14.177 -41.684 1.00 44.42 C ATOM 857 O LYS A 58 -6.151 -13.801 -41.589 1.00 32.12 O ATOM 858 CB LYS A 58 -4.703 -16.537 -40.923 1.00 2.04 C ATOM 859 CG LYS A 58 -4.145 -17.014 -42.264 1.00 64.13 C ATOM 860 CD LYS A 58 -4.805 -18.302 -42.744 1.00 2.12 C ATOM 861 CE LYS A 58 -4.196 -18.791 -44.055 1.00 51.22 C ATOM 862 NZ LYS A 58 -4.201 -17.734 -45.107 1.00 12.14 N ATOM 0 H LYS A 58 -5.668 -15.229 -38.971 1.00 22.23 H new ATOM 0 HA LYS A 58 -3.281 -14.946 -40.609 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -4.311 -17.171 -40.128 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -5.786 -16.660 -40.924 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -4.289 -16.235 -43.012 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -3.071 -17.172 -42.172 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -4.696 -19.073 -41.982 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -5.874 -18.136 -42.878 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -3.172 -19.120 -43.878 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -4.752 -19.658 -44.411 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -4.446 -18.158 -46.024 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -4.903 -17.006 -44.864 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -3.258 -17.300 -45.167 1.00 12.14 H new ATOM 876 N GLN A 59 -4.192 -13.835 -42.700 1.00 62.31 N ATOM 877 CA GLN A 59 -4.698 -13.094 -43.853 1.00 30.32 C ATOM 878 C GLN A 59 -5.269 -14.071 -44.880 1.00 0.55 C ATOM 879 O GLN A 59 -4.884 -15.244 -44.905 1.00 71.44 O ATOM 880 CB GLN A 59 -3.584 -12.247 -44.491 1.00 41.23 C ATOM 881 CG GLN A 59 -2.974 -11.220 -43.546 1.00 10.35 C ATOM 882 CD GLN A 59 -1.947 -10.332 -44.229 1.00 72.33 C ATOM 883 OE1 GLN A 59 -0.758 -10.650 -44.272 1.00 24.21 O ATOM 884 NE2 GLN A 59 -2.399 -9.212 -44.768 1.00 55.00 N ATOM 0 H GLN A 59 -3.198 -14.060 -42.749 1.00 62.31 H new ATOM 0 HA GLN A 59 -5.486 -12.420 -43.516 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -2.796 -12.910 -44.849 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -3.987 -11.731 -45.362 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -3.767 -10.598 -43.131 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -2.503 -11.736 -42.710 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -3.391 -8.983 -44.712 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -1.755 -8.577 -45.240 1.00 55.00 H new ATOM 893 N PHE A 60 -6.192 -13.597 -45.712 1.00 4.41 N ATOM 894 CA PHE A 60 -6.769 -14.428 -46.767 1.00 50.42 C ATOM 895 C PHE A 60 -5.769 -14.565 -47.911 1.00 13.13 C ATOM 896 O PHE A 60 -5.304 -15.664 -48.216 1.00 51.22 O ATOM 897 CB PHE A 60 -8.087 -13.823 -47.274 1.00 41.42 C ATOM 898 CG PHE A 60 -8.797 -14.682 -48.297 1.00 61.13 C ATOM 899 CD1 PHE A 60 -9.496 -15.815 -47.904 1.00 12.31 C ATOM 900 CD2 PHE A 60 -8.759 -14.361 -49.649 1.00 40.54 C ATOM 901 CE1 PHE A 60 -10.142 -16.609 -48.836 1.00 10.14 C ATOM 902 CE2 PHE A 60 -9.401 -15.152 -50.584 1.00 73.53 C ATOM 903 CZ PHE A 60 -10.093 -16.277 -50.177 1.00 13.11 C ATOM 0 H PHE A 60 -6.556 -12.645 -45.677 1.00 4.41 H new ATOM 0 HA PHE A 60 -6.987 -15.416 -46.361 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -8.752 -13.660 -46.426 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -7.883 -12.846 -47.712 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -9.536 -16.080 -46.858 1.00 12.31 H new ATOM 0 HD2 PHE A 60 -8.221 -13.482 -49.973 1.00 40.54 H new ATOM 0 HE1 PHE A 60 -10.684 -17.487 -48.516 1.00 10.14 H new ATOM 0 HE2 PHE A 60 -9.362 -14.891 -51.631 1.00 73.53 H new ATOM 0 HZ PHE A 60 -10.595 -16.896 -50.906 1.00 13.11 H new ATOM 913 N ASP A 61 -5.432 -13.432 -48.519 1.00 72.13 N ATOM 914 CA ASP A 61 -4.446 -13.376 -49.595 1.00 21.25 C ATOM 915 C ASP A 61 -3.669 -12.070 -49.497 1.00 45.30 C ATOM 916 O ASP A 61 -4.261 -11.003 -49.309 1.00 20.32 O ATOM 917 CB ASP A 61 -5.122 -13.490 -50.972 1.00 71.44 C ATOM 918 CG ASP A 61 -4.134 -13.353 -52.126 1.00 31.53 C ATOM 919 OD1 ASP A 61 -3.235 -14.212 -52.253 1.00 42.41 O ATOM 920 OD2 ASP A 61 -4.250 -12.388 -52.912 1.00 45.10 O ATOM 0 H ASP A 61 -5.835 -12.526 -48.280 1.00 72.13 H new ATOM 0 HA ASP A 61 -3.763 -14.219 -49.489 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -5.628 -14.452 -51.045 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -5.888 -12.719 -51.061 1.00 71.44 H new ATOM 925 N SER A 62 -2.350 -12.157 -49.594 1.00 2.52 N ATOM 926 CA SER A 62 -1.490 -10.988 -49.495 1.00 22.13 C ATOM 927 C SER A 62 -1.285 -10.377 -50.878 1.00 22.13 C ATOM 928 O SER A 62 -0.311 -10.687 -51.573 1.00 25.20 O ATOM 929 CB SER A 62 -0.146 -11.376 -48.860 1.00 73.41 C ATOM 930 OG SER A 62 0.686 -10.247 -48.668 1.00 51.41 O ATOM 0 H SER A 62 -1.849 -13.033 -49.742 1.00 2.52 H new ATOM 0 HA SER A 62 -1.965 -10.243 -48.857 1.00 22.13 H new ATOM 0 HB2 SER A 62 -0.323 -11.865 -47.902 1.00 73.41 H new ATOM 0 HB3 SER A 62 0.363 -12.099 -49.497 1.00 73.41 H new ATOM 0 HG SER A 62 1.532 -10.529 -48.261 1.00 51.41 H new ATOM 936 N SER A 63 -2.215 -9.517 -51.282 1.00 2.54 N ATOM 937 CA SER A 63 -2.162 -8.897 -52.599 1.00 61.15 C ATOM 938 C SER A 63 -0.938 -7.989 -52.698 1.00 30.33 C ATOM 939 O SER A 63 -0.398 -7.762 -53.785 1.00 20.53 O ATOM 940 CB SER A 63 -3.451 -8.112 -52.877 1.00 5.12 C ATOM 941 OG SER A 63 -3.596 -7.022 -51.982 1.00 11.23 O ATOM 0 H SER A 63 -3.014 -9.234 -50.715 1.00 2.54 H new ATOM 0 HA SER A 63 -2.076 -9.678 -53.354 1.00 61.15 H new ATOM 0 HB2 SER A 63 -3.440 -7.744 -53.903 1.00 5.12 H new ATOM 0 HB3 SER A 63 -4.310 -8.776 -52.786 1.00 5.12 H new ATOM 0 HG SER A 63 -3.233 -6.210 -52.394 1.00 11.23 H new ATOM 947 N ARG A 64 -0.497 -7.483 -51.545 1.00 62.05 N ATOM 948 CA ARG A 64 0.722 -6.681 -51.471 1.00 51.31 C ATOM 949 C ARG A 64 1.925 -7.493 -51.944 1.00 11.31 C ATOM 950 O ARG A 64 2.739 -7.005 -52.726 1.00 41.21 O ATOM 951 CB ARG A 64 0.957 -6.171 -50.041 1.00 11.31 C ATOM 952 CG ARG A 64 1.007 -7.276 -48.994 1.00 31.34 C ATOM 953 CD ARG A 64 1.398 -6.750 -47.620 1.00 61.25 C ATOM 954 NE ARG A 64 0.487 -5.710 -47.146 1.00 63.21 N ATOM 955 CZ ARG A 64 -0.113 -5.718 -45.954 1.00 44.35 C ATOM 956 NH1 ARG A 64 0.014 -6.762 -45.133 1.00 70.45 N ATOM 957 NH2 ARG A 64 -0.866 -4.689 -45.598 1.00 74.42 N ATOM 0 H ARG A 64 -0.967 -7.615 -50.650 1.00 62.05 H new ATOM 0 HA ARG A 64 0.599 -5.819 -52.127 1.00 51.31 H new ATOM 0 HB2 ARG A 64 1.894 -5.615 -50.013 1.00 11.31 H new ATOM 0 HB3 ARG A 64 0.163 -5.472 -49.780 1.00 11.31 H new ATOM 0 HG2 ARG A 64 0.032 -7.760 -48.932 1.00 31.34 H new ATOM 0 HG3 ARG A 64 1.721 -8.038 -49.306 1.00 31.34 H new ATOM 0 HD2 ARG A 64 1.408 -7.574 -46.907 1.00 61.25 H new ATOM 0 HD3 ARG A 64 2.412 -6.351 -47.661 1.00 61.25 H new ATOM 0 HE ARG A 64 0.297 -4.925 -47.769 1.00 63.21 H new ATOM 0 HH11 ARG A 64 0.575 -7.566 -45.414 1.00 70.45 H new ATOM 0 HH12 ARG A 64 -0.450 -6.756 -44.225 1.00 70.45 H new ATOM 0 HH21 ARG A 64 -0.984 -3.899 -46.233 1.00 74.42 H new ATOM 0 HH22 ARG A 64 -1.329 -4.686 -44.689 1.00 74.42 H new ATOM 971 N SER A 65 2.012 -8.745 -51.494 1.00 10.31 N ATOM 972 CA SER A 65 3.131 -9.611 -51.844 1.00 43.24 C ATOM 973 C SER A 65 3.059 -9.995 -53.321 1.00 30.11 C ATOM 974 O SER A 65 4.072 -10.325 -53.943 1.00 40.21 O ATOM 975 CB SER A 65 3.135 -10.866 -50.955 1.00 13.31 C ATOM 976 OG SER A 65 4.320 -11.628 -51.140 1.00 52.33 O ATOM 0 H SER A 65 1.318 -9.180 -50.886 1.00 10.31 H new ATOM 0 HA SER A 65 4.061 -9.069 -51.674 1.00 43.24 H new ATOM 0 HB2 SER A 65 3.049 -10.573 -49.909 1.00 13.31 H new ATOM 0 HB3 SER A 65 2.265 -11.481 -51.187 1.00 13.31 H new ATOM 0 HG SER A 65 4.295 -12.418 -50.561 1.00 52.33 H new ATOM 982 N ARG A 66 1.853 -9.930 -53.882 1.00 45.31 N ATOM 983 CA ARG A 66 1.649 -10.206 -55.303 1.00 14.00 C ATOM 984 C ARG A 66 2.132 -9.009 -56.125 1.00 1.23 C ATOM 985 O ARG A 66 2.454 -9.132 -57.308 1.00 33.32 O ATOM 986 CB ARG A 66 0.168 -10.510 -55.576 1.00 41.14 C ATOM 987 CG ARG A 66 -0.403 -11.567 -54.635 1.00 42.33 C ATOM 988 CD ARG A 66 -1.868 -11.876 -54.918 1.00 1.51 C ATOM 989 NE ARG A 66 -2.038 -12.678 -56.130 1.00 14.23 N ATOM 990 CZ ARG A 66 -2.980 -13.608 -56.284 1.00 13.50 C ATOM 991 NH1 ARG A 66 -3.860 -13.844 -55.314 1.00 2.55 N ATOM 992 NH2 ARG A 66 -3.032 -14.310 -57.405 1.00 75.44 N ATOM 0 H ARG A 66 1.002 -9.689 -53.374 1.00 45.31 H new ATOM 0 HA ARG A 66 2.226 -11.083 -55.595 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -0.411 -9.592 -55.477 1.00 41.14 H new ATOM 0 HB3 ARG A 66 0.055 -10.848 -56.606 1.00 41.14 H new ATOM 0 HG2 ARG A 66 0.181 -12.483 -54.726 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -0.300 -11.224 -53.605 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -2.296 -12.408 -54.069 1.00 1.51 H new ATOM 0 HD3 ARG A 66 -2.421 -10.943 -55.021 1.00 1.51 H new ATOM 0 HE ARG A 66 -1.395 -12.515 -56.905 1.00 14.23 H new ATOM 0 HH11 ARG A 66 -3.816 -13.311 -54.445 1.00 2.55 H new ATOM 0 HH12 ARG A 66 -4.578 -14.557 -55.439 1.00 2.55 H new ATOM 0 HH21 ARG A 66 -2.353 -14.138 -58.146 1.00 75.44 H new ATOM 0 HH22 ARG A 66 -3.751 -15.023 -57.527 1.00 75.44 H new ATOM 1006 N GLY A 67 2.192 -7.853 -55.469 1.00 34.51 N ATOM 1007 CA GLY A 67 2.826 -6.680 -56.048 1.00 34.10 C ATOM 1008 C GLY A 67 1.956 -5.931 -57.041 1.00 63.33 C ATOM 1009 O GLY A 67 2.415 -5.587 -58.134 1.00 1.24 O ATOM 0 H GLY A 67 1.808 -7.707 -54.535 1.00 34.51 H new ATOM 0 HA2 GLY A 67 3.110 -6.000 -55.245 1.00 34.10 H new ATOM 0 HA3 GLY A 67 3.746 -6.986 -56.546 1.00 34.10 H new ATOM 1013 N LYS A 68 0.700 -5.689 -56.683 1.00 75.34 N ATOM 1014 CA LYS A 68 -0.174 -4.845 -57.493 1.00 45.14 C ATOM 1015 C LYS A 68 -1.133 -4.053 -56.599 1.00 23.21 C ATOM 1016 O LYS A 68 -1.779 -4.626 -55.716 1.00 4.34 O ATOM 1017 CB LYS A 68 -0.958 -5.683 -58.518 1.00 40.24 C ATOM 1018 CG LYS A 68 -1.850 -4.841 -59.430 1.00 60.33 C ATOM 1019 CD LYS A 68 -2.451 -5.652 -60.575 1.00 74.22 C ATOM 1020 CE LYS A 68 -1.377 -6.212 -61.503 1.00 64.14 C ATOM 1021 NZ LYS A 68 -1.967 -6.838 -62.714 1.00 71.10 N ATOM 0 H LYS A 68 0.264 -6.063 -55.840 1.00 75.34 H new ATOM 0 HA LYS A 68 0.451 -4.141 -58.042 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -0.254 -6.248 -59.130 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -1.574 -6.409 -57.988 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -2.654 -4.401 -58.840 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -1.268 -4.016 -59.841 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -3.042 -6.472 -60.167 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -3.132 -5.022 -61.147 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -0.700 -5.411 -61.801 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -0.781 -6.950 -60.966 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -1.206 -7.207 -63.320 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -2.593 -7.618 -62.431 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -2.515 -6.128 -63.240 1.00 71.10 H new ATOM 1035 N PRO A 69 -1.212 -2.720 -56.789 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.162 -1.865 -56.081 1.00 41.05 C ATOM 1037 C PRO A 69 -3.530 -1.834 -56.773 1.00 63.34 C ATOM 1038 O PRO A 69 -3.744 -2.513 -57.778 1.00 73.21 O ATOM 1039 CB PRO A 69 -1.496 -0.469 -56.120 1.00 65.54 C ATOM 1040 CG PRO A 69 -0.255 -0.617 -56.956 1.00 33.42 C ATOM 1041 CD PRO A 69 -0.378 -1.925 -57.693 1.00 34.41 C ATOM 0 HA PRO A 69 -2.360 -2.220 -55.070 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.170 0.271 -56.552 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.249 -0.128 -55.115 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -0.159 0.213 -57.656 1.00 33.42 H new ATOM 0 HG3 PRO A 69 0.636 -0.609 -56.329 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -0.845 -1.798 -58.670 1.00 34.41 H new ATOM 0 HD3 PRO A 69 0.594 -2.389 -57.862 1.00 34.41 H new ATOM 1049 N PHE A 70 -4.443 -1.037 -56.226 1.00 41.12 N ATOM 1050 CA PHE A 70 -5.788 -0.881 -56.780 1.00 52.04 C ATOM 1051 C PHE A 70 -6.090 0.605 -56.957 1.00 55.23 C ATOM 1052 O PHE A 70 -5.535 1.439 -56.245 1.00 31.10 O ATOM 1053 CB PHE A 70 -6.833 -1.520 -55.853 1.00 51.25 C ATOM 1054 CG PHE A 70 -6.576 -2.976 -55.552 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -6.876 -3.957 -56.489 1.00 54.02 C ATOM 1056 CD2 PHE A 70 -6.033 -3.364 -54.333 1.00 50.33 C ATOM 1057 CE1 PHE A 70 -6.642 -5.292 -56.214 1.00 42.20 C ATOM 1058 CE2 PHE A 70 -5.797 -4.699 -54.055 1.00 71.23 C ATOM 1059 CZ PHE A 70 -6.101 -5.662 -54.997 1.00 20.44 C ATOM 0 H PHE A 70 -4.274 -0.481 -55.388 1.00 41.12 H new ATOM 0 HA PHE A 70 -5.834 -1.384 -57.746 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -6.860 -0.965 -54.915 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.818 -1.422 -56.310 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -7.297 -3.674 -57.443 1.00 54.02 H new ATOM 0 HD2 PHE A 70 -5.792 -2.615 -53.594 1.00 50.33 H new ATOM 0 HE1 PHE A 70 -6.882 -6.045 -56.950 1.00 42.20 H new ATOM 0 HE2 PHE A 70 -5.376 -4.987 -53.103 1.00 71.23 H new ATOM 0 HZ PHE A 70 -5.916 -6.704 -54.783 1.00 20.44 H new ATOM 1069 N GLN A 71 -6.950 0.940 -57.912 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.325 2.335 -58.147 1.00 52.35 C ATOM 1071 C GLN A 71 -8.837 2.458 -58.309 1.00 12.44 C ATOM 1072 O GLN A 71 -9.440 1.725 -59.098 1.00 73.44 O ATOM 1073 CB GLN A 71 -6.619 2.881 -59.399 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.097 2.793 -59.344 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.425 3.434 -60.547 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -4.189 2.782 -61.564 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -4.100 4.711 -60.434 1.00 75.03 N ATOM 0 H GLN A 71 -7.401 0.270 -58.535 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.012 2.923 -57.284 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -6.973 2.331 -60.271 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -6.907 3.923 -59.540 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -4.742 3.278 -58.435 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -4.800 1.746 -59.283 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -4.313 5.217 -59.574 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.637 5.190 -61.206 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.445 3.383 -57.569 1.00 73.33 N ATOM 1087 CA PHE A 72 -10.884 3.635 -57.689 1.00 2.55 C ATOM 1088 C PHE A 72 -11.215 5.060 -57.261 1.00 20.34 C ATOM 1089 O PHE A 72 -10.365 5.761 -56.714 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.718 2.616 -56.885 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.515 2.645 -55.382 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -12.027 3.683 -54.610 1.00 73.40 C ATOM 1093 CD2 PHE A 72 -10.833 1.621 -54.742 1.00 1.40 C ATOM 1094 CE1 PHE A 72 -11.853 3.701 -53.240 1.00 1.11 C ATOM 1095 CE2 PHE A 72 -10.664 1.634 -53.370 1.00 5.31 C ATOM 1096 CZ PHE A 72 -11.172 2.675 -52.618 1.00 32.03 C ATOM 0 H PHE A 72 -8.969 3.969 -56.883 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.150 3.513 -58.739 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.773 2.791 -57.095 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.483 1.615 -57.246 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -12.568 4.486 -55.089 1.00 73.40 H new ATOM 0 HD2 PHE A 72 -10.429 0.804 -55.322 1.00 1.40 H new ATOM 0 HE1 PHE A 72 -12.250 4.518 -52.656 1.00 1.11 H new ATOM 0 HE2 PHE A 72 -10.133 0.828 -52.885 1.00 5.31 H new ATOM 0 HZ PHE A 72 -11.037 2.686 -51.547 1.00 32.03 H new ATOM 1106 N THR A 73 -12.445 5.482 -57.517 1.00 51.11 N ATOM 1107 CA THR A 73 -12.876 6.840 -57.210 1.00 1.20 C ATOM 1108 C THR A 73 -13.245 6.983 -55.730 1.00 62.13 C ATOM 1109 O THR A 73 -14.152 6.304 -55.235 1.00 74.23 O ATOM 1110 CB THR A 73 -14.084 7.231 -58.085 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.791 6.938 -59.457 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.425 8.713 -57.934 1.00 75.20 C ATOM 0 H THR A 73 -13.167 4.899 -57.940 1.00 51.11 H new ATOM 0 HA THR A 73 -12.043 7.509 -57.425 1.00 1.20 H new ATOM 0 HB THR A 73 -14.948 6.653 -57.756 1.00 52.41 H new ATOM 0 HG1 THR A 73 -14.052 7.699 -60.017 1.00 54.54 H new ATOM 0 HG21 THR A 73 -15.281 8.955 -58.564 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.669 8.926 -56.893 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.569 9.316 -58.237 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.530 7.860 -55.031 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.786 8.126 -53.617 1.00 2.01 C ATOM 1122 C LEU A 74 -14.107 8.877 -53.448 1.00 50.22 C ATOM 1123 O LEU A 74 -14.402 9.800 -54.212 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.629 8.944 -53.020 1.00 4.02 C ATOM 1125 CG LEU A 74 -11.762 9.296 -51.526 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -11.864 8.033 -50.679 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.589 10.160 -51.064 1.00 40.31 C ATOM 0 H LEU A 74 -11.762 8.403 -55.424 1.00 41.42 H new ATOM 0 HA LEU A 74 -12.858 7.176 -53.088 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.703 8.387 -53.162 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.534 9.871 -53.586 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.680 9.870 -51.396 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -11.957 8.306 -49.628 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -12.740 7.460 -50.984 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -10.968 7.428 -50.819 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -10.705 10.396 -50.006 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -9.656 9.617 -51.215 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.568 11.084 -51.641 1.00 40.31 H new ATOM 1139 N GLY A 75 -14.891 8.481 -52.449 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.174 9.115 -52.209 1.00 51.53 C ATOM 1141 C GLY A 75 -17.239 8.654 -53.186 1.00 33.31 C ATOM 1142 O GLY A 75 -18.214 9.371 -53.442 1.00 41.10 O ATOM 0 H GLY A 75 -14.659 7.729 -51.800 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.499 8.897 -51.192 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -16.061 10.197 -52.283 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.059 7.457 -53.732 1.00 23.41 N ATOM 1147 CA ALA A 76 -18.002 6.885 -54.688 1.00 10.02 C ATOM 1148 C ALA A 76 -18.404 5.477 -54.261 1.00 2.44 C ATOM 1149 O ALA A 76 -17.830 4.914 -53.325 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.394 6.869 -56.089 1.00 13.12 C ATOM 0 H ALA A 76 -16.260 6.858 -53.526 1.00 23.41 H new ATOM 0 HA ALA A 76 -18.897 7.506 -54.708 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.109 6.440 -56.791 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.154 7.888 -56.393 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.485 6.268 -56.084 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.381 4.908 -54.964 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.871 3.572 -54.649 1.00 54.35 C ATOM 1158 C GLY A 77 -18.963 2.463 -55.156 1.00 33.32 C ATOM 1159 O GLY A 77 -19.377 1.304 -55.229 1.00 54.41 O ATOM 0 H GLY A 77 -19.847 5.353 -55.755 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.979 3.478 -53.569 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.864 3.445 -55.081 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.727 2.818 -55.507 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.737 1.848 -55.979 1.00 75.44 C ATOM 1165 C GLU A 78 -16.554 0.732 -54.949 1.00 54.02 C ATOM 1166 O GLU A 78 -16.488 -0.452 -55.292 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.390 2.546 -56.227 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.450 3.696 -57.228 1.00 4.04 C ATOM 1169 CD GLU A 78 -15.791 3.244 -58.640 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -14.904 2.684 -59.319 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -16.940 3.458 -59.082 1.00 75.43 O ATOM 0 H GLU A 78 -17.385 3.778 -55.473 1.00 32.55 H new ATOM 0 HA GLU A 78 -17.095 1.415 -56.913 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -15.012 2.926 -55.278 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.672 1.807 -56.584 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.194 4.420 -56.896 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.489 4.209 -57.240 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.485 1.126 -53.682 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.295 0.191 -52.579 1.00 1.34 C ATOM 1180 C VAL A 79 -17.254 0.524 -51.443 1.00 20.50 C ATOM 1181 O VAL A 79 -17.994 1.507 -51.520 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.839 0.225 -52.045 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.851 -0.223 -53.123 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.484 1.619 -51.516 1.00 32.01 C ATOM 0 H VAL A 79 -16.559 2.101 -53.391 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.498 -0.811 -52.958 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.767 -0.477 -51.214 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.837 -0.190 -52.724 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -14.087 -1.241 -53.432 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -13.924 0.443 -53.983 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.458 1.618 -51.147 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.580 2.349 -52.320 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -15.161 1.883 -50.704 1.00 32.01 H new ATOM 1194 N ILE A 80 -17.235 -0.292 -50.391 1.00 75.42 N ATOM 1195 CA ILE A 80 -18.073 -0.054 -49.219 1.00 23.41 C ATOM 1196 C ILE A 80 -17.590 1.183 -48.461 1.00 60.52 C ATOM 1197 O ILE A 80 -16.390 1.502 -48.467 1.00 13.14 O ATOM 1198 CB ILE A 80 -18.089 -1.278 -48.267 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -16.673 -1.573 -47.739 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.669 -2.501 -48.985 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -16.606 -2.740 -46.777 1.00 43.25 C ATOM 0 H ILE A 80 -16.648 -1.124 -50.327 1.00 75.42 H new ATOM 0 HA ILE A 80 -19.090 0.112 -49.574 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.726 -1.047 -47.413 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -16.015 -1.774 -48.585 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -16.289 -0.683 -47.241 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -18.674 -3.353 -48.305 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.688 -2.286 -49.305 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -18.057 -2.736 -49.856 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -15.576 -2.884 -46.451 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -17.236 -2.535 -45.911 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -16.958 -3.643 -47.276 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.522 1.871 -47.802 1.00 23.20 N ATOM 1214 CA LYS A 81 -18.211 3.109 -47.089 1.00 11.25 C ATOM 1215 C LYS A 81 -17.138 2.853 -46.022 1.00 2.21 C ATOM 1216 O LYS A 81 -16.400 3.763 -45.644 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.494 3.701 -46.459 1.00 0.11 C ATOM 1218 CG LYS A 81 -19.596 5.227 -46.543 1.00 41.11 C ATOM 1219 CD LYS A 81 -18.502 5.925 -45.739 1.00 62.14 C ATOM 1220 CE LYS A 81 -18.629 7.443 -45.792 1.00 73.31 C ATOM 1221 NZ LYS A 81 -18.394 7.981 -47.154 1.00 30.33 N ATOM 0 H LYS A 81 -19.501 1.591 -47.747 1.00 23.20 H new ATOM 0 HA LYS A 81 -17.816 3.836 -47.798 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -20.362 3.264 -46.953 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -19.540 3.403 -45.411 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -19.531 5.537 -47.586 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -20.572 5.545 -46.176 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -18.549 5.594 -44.701 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -17.526 5.630 -46.124 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -19.624 7.734 -45.456 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -17.915 7.889 -45.099 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -18.289 9.015 -47.106 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -17.527 7.563 -47.548 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -19.201 7.743 -47.765 1.00 30.33 H new ATOM 1235 N GLY A 82 -17.051 1.608 -45.552 1.00 34.43 N ATOM 1236 CA GLY A 82 -16.016 1.236 -44.596 1.00 31.53 C ATOM 1237 C GLY A 82 -14.618 1.441 -45.162 1.00 11.44 C ATOM 1238 O GLY A 82 -13.778 2.114 -44.550 1.00 11.05 O ATOM 0 H GLY A 82 -17.679 0.849 -45.816 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -16.130 1.829 -43.689 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -16.143 0.191 -44.312 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.374 0.879 -46.347 1.00 20.04 N ATOM 1243 CA TRP A 83 -13.079 1.021 -47.010 1.00 54.32 C ATOM 1244 C TRP A 83 -12.872 2.465 -47.450 1.00 71.34 C ATOM 1245 O TRP A 83 -11.750 2.974 -47.416 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.957 0.075 -48.216 1.00 1.15 C ATOM 1247 CG TRP A 83 -13.001 -1.380 -47.850 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.702 -1.934 -46.637 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -13.349 -2.469 -48.712 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -12.862 -3.296 -46.688 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -13.256 -3.650 -47.954 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -13.739 -2.557 -50.049 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -13.535 -4.904 -48.494 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -14.016 -3.801 -50.584 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -13.915 -4.960 -49.807 1.00 54.32 C ATOM 0 H TRP A 83 -15.054 0.323 -46.865 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.304 0.749 -46.294 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.764 0.289 -48.917 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -12.021 0.282 -48.735 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.386 -1.380 -45.765 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.712 -3.940 -45.911 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -13.823 -1.668 -50.656 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -13.454 -5.800 -47.897 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -14.315 -3.880 -51.619 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -14.141 -5.917 -50.252 1.00 54.32 H new ATOM 1266 N ASP A 84 -13.964 3.116 -47.856 1.00 72.43 N ATOM 1267 CA ASP A 84 -13.932 4.538 -48.211 1.00 32.24 C ATOM 1268 C ASP A 84 -13.362 5.357 -47.051 1.00 32.32 C ATOM 1269 O ASP A 84 -12.445 6.161 -47.238 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.342 5.026 -48.583 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.409 6.524 -48.857 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -15.025 6.956 -49.966 1.00 3.24 O ATOM 1273 OD2 ASP A 84 -15.869 7.276 -47.968 1.00 41.55 O ATOM 0 H ASP A 84 -14.882 2.682 -47.947 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.285 4.672 -49.078 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.684 4.487 -49.466 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -16.029 4.781 -47.773 1.00 51.14 H new ATOM 1278 N GLN A 85 -13.889 5.125 -45.850 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.373 5.772 -44.646 1.00 73.31 C ATOM 1280 C GLN A 85 -11.900 5.426 -44.451 1.00 50.41 C ATOM 1281 O GLN A 85 -11.063 6.310 -44.243 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.165 5.332 -43.405 1.00 11.22 C ATOM 1283 CG GLN A 85 -15.603 5.838 -43.357 1.00 25.14 C ATOM 1284 CD GLN A 85 -16.351 5.350 -42.126 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -15.757 5.104 -41.077 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -17.663 5.223 -42.239 1.00 2.41 N ATOM 0 H GLN A 85 -14.673 4.494 -45.685 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.482 6.849 -44.772 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -14.175 4.243 -43.364 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -13.642 5.679 -42.514 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -15.602 6.928 -43.369 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.130 5.510 -44.253 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -18.122 5.436 -43.125 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -18.216 4.912 -41.440 1.00 2.41 H new ATOM 1295 N GLY A 86 -11.599 4.129 -44.539 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.244 3.647 -44.319 1.00 62.34 C ATOM 1297 C GLY A 86 -9.211 4.376 -45.160 1.00 13.43 C ATOM 1298 O GLY A 86 -8.197 4.843 -44.641 1.00 1.43 O ATOM 0 H GLY A 86 -12.277 3.399 -44.761 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -9.991 3.759 -43.265 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.202 2.582 -44.545 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.466 4.480 -46.458 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.542 5.148 -47.369 1.00 50.24 C ATOM 1304 C VAL A 87 -8.606 6.675 -47.226 1.00 54.40 C ATOM 1305 O VAL A 87 -7.596 7.363 -47.373 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.797 4.736 -48.843 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -8.604 3.229 -49.017 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -10.190 5.161 -49.299 1.00 62.31 C ATOM 0 H VAL A 87 -10.305 4.111 -46.905 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.539 4.824 -47.091 1.00 50.24 H new ATOM 0 HB VAL A 87 -8.070 5.252 -49.471 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -8.787 2.956 -50.056 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -7.584 2.959 -48.745 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -9.304 2.696 -48.374 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -10.341 4.860 -50.335 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -10.941 4.684 -48.669 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -10.285 6.244 -49.219 1.00 62.31 H new ATOM 1318 N ALA A 88 -9.792 7.202 -46.920 1.00 43.42 N ATOM 1319 CA ALA A 88 -9.997 8.652 -46.848 1.00 63.54 C ATOM 1320 C ALA A 88 -9.451 9.254 -45.550 1.00 61.41 C ATOM 1321 O ALA A 88 -9.201 10.460 -45.478 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.479 8.983 -46.993 1.00 72.34 C ATOM 0 H ALA A 88 -10.625 6.649 -46.718 1.00 43.42 H new ATOM 0 HA ALA A 88 -9.440 9.096 -47.673 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -11.618 10.063 -46.938 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -11.841 8.619 -47.955 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.039 8.504 -46.190 1.00 72.34 H new ATOM 1328 N THR A 89 -9.278 8.424 -44.524 1.00 71.10 N ATOM 1329 CA THR A 89 -8.834 8.904 -43.211 1.00 21.14 C ATOM 1330 C THR A 89 -7.305 8.997 -43.115 1.00 72.32 C ATOM 1331 O THR A 89 -6.771 9.565 -42.158 1.00 61.43 O ATOM 1332 CB THR A 89 -9.367 7.995 -42.075 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.080 8.571 -40.793 1.00 70.41 O ATOM 1334 CG2 THR A 89 -8.756 6.597 -42.145 1.00 23.35 C ATOM 0 H THR A 89 -9.437 7.418 -44.573 1.00 71.10 H new ATOM 0 HA THR A 89 -9.245 9.907 -43.094 1.00 21.14 H new ATOM 0 HB THR A 89 -10.446 7.912 -42.206 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.208 9.018 -40.823 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.152 5.986 -41.334 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.007 6.138 -43.101 1.00 23.35 H new ATOM 0 HG23 THR A 89 -7.672 6.668 -42.050 1.00 23.35 H new ATOM 1342 N MET A 90 -6.600 8.452 -44.103 1.00 23.21 N ATOM 1343 CA MET A 90 -5.135 8.395 -44.058 1.00 52.35 C ATOM 1344 C MET A 90 -4.502 9.388 -45.033 1.00 34.44 C ATOM 1345 O MET A 90 -5.202 10.172 -45.677 1.00 64.34 O ATOM 1346 CB MET A 90 -4.645 6.973 -44.364 1.00 2.44 C ATOM 1347 CG MET A 90 -5.060 6.447 -45.730 1.00 20.52 C ATOM 1348 SD MET A 90 -4.340 4.835 -46.091 1.00 33.02 S ATOM 1349 CE MET A 90 -4.841 3.914 -44.641 1.00 71.33 C ATOM 0 H MET A 90 -7.013 8.045 -44.942 1.00 23.21 H new ATOM 0 HA MET A 90 -4.827 8.672 -43.050 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.557 6.954 -44.296 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.025 6.298 -43.597 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.147 6.375 -45.774 1.00 20.52 H new ATOM 0 HG3 MET A 90 -4.756 7.158 -46.498 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.612 2.858 -44.784 1.00 71.33 H new ATOM 0 HE2 MET A 90 -4.304 4.287 -43.769 1.00 71.33 H new ATOM 0 HE3 MET A 90 -5.913 4.035 -44.486 1.00 71.33 H new ATOM 1359 N THR A 91 -3.173 9.356 -45.115 1.00 54.53 N ATOM 1360 CA THR A 91 -2.414 10.237 -46.001 1.00 60.53 C ATOM 1361 C THR A 91 -1.622 9.423 -47.036 1.00 4.54 C ATOM 1362 O THR A 91 -1.669 8.190 -47.031 1.00 62.15 O ATOM 1363 CB THR A 91 -1.463 11.147 -45.181 1.00 2.34 C ATOM 1364 OG1 THR A 91 -0.745 10.367 -44.208 1.00 75.53 O ATOM 1365 CG2 THR A 91 -2.240 12.254 -44.473 1.00 54.53 C ATOM 0 H THR A 91 -2.592 8.719 -44.570 1.00 54.53 H new ATOM 0 HA THR A 91 -3.121 10.870 -46.536 1.00 60.53 H new ATOM 0 HB THR A 91 -0.757 11.605 -45.874 1.00 2.34 H new ATOM 0 HG1 THR A 91 -0.147 10.951 -43.697 1.00 75.53 H new ATOM 0 HG21 THR A 91 -1.549 12.877 -43.905 1.00 54.53 H new ATOM 0 HG22 THR A 91 -2.757 12.866 -45.212 1.00 54.53 H new ATOM 0 HG23 THR A 91 -2.969 11.810 -43.795 1.00 54.53 H new ATOM 1373 N LEU A 92 -0.904 10.114 -47.922 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.195 9.463 -49.024 1.00 25.41 C ATOM 1375 C LEU A 92 0.954 8.599 -48.489 1.00 32.24 C ATOM 1376 O LEU A 92 1.808 9.071 -47.733 1.00 31.23 O ATOM 1377 CB LEU A 92 0.319 10.526 -50.020 1.00 14.43 C ATOM 1378 CG LEU A 92 0.766 10.012 -51.409 1.00 74.12 C ATOM 1379 CD1 LEU A 92 0.876 11.168 -52.400 1.00 1.01 C ATOM 1380 CD2 LEU A 92 2.095 9.255 -51.332 1.00 24.41 C ATOM 0 H LEU A 92 -0.798 11.128 -47.898 1.00 74.01 H new ATOM 0 HA LEU A 92 -0.885 8.805 -49.552 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -0.469 11.265 -50.167 1.00 14.43 H new ATOM 0 HB3 LEU A 92 1.161 11.045 -49.561 1.00 14.43 H new ATOM 0 HG LEU A 92 0.004 9.315 -51.759 1.00 74.12 H new ATOM 0 HD11 LEU A 92 1.192 10.786 -53.371 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -0.094 11.655 -52.500 1.00 1.01 H new ATOM 0 HD13 LEU A 92 1.609 11.889 -52.038 1.00 1.01 H new ATOM 0 HD21 LEU A 92 2.375 8.910 -52.327 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.870 9.918 -50.946 1.00 24.41 H new ATOM 0 HD23 LEU A 92 1.987 8.398 -50.668 1.00 24.41 H new ATOM 1392 N GLY A 93 0.958 7.331 -48.891 1.00 34.21 N ATOM 1393 CA GLY A 93 1.992 6.397 -48.479 1.00 5.55 C ATOM 1394 C GLY A 93 1.737 5.819 -47.102 1.00 72.25 C ATOM 1395 O GLY A 93 2.614 5.175 -46.519 1.00 64.11 O ATOM 0 H GLY A 93 0.250 6.929 -49.505 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.054 5.586 -49.204 1.00 5.55 H new ATOM 0 HA3 GLY A 93 2.957 6.903 -48.484 1.00 5.55 H new ATOM 1399 N GLU A 94 0.532 6.037 -46.591 1.00 71.34 N ATOM 1400 CA GLU A 94 0.170 5.613 -45.244 1.00 13.03 C ATOM 1401 C GLU A 94 -0.640 4.321 -45.287 1.00 35.11 C ATOM 1402 O GLU A 94 -1.402 4.086 -46.222 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.616 6.735 -44.549 1.00 33.44 C ATOM 1404 CG GLU A 94 -0.952 6.465 -43.086 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.167 7.749 -42.302 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.241 8.373 -42.440 1.00 22.02 O ATOM 1407 OE2 GLU A 94 -0.247 8.160 -41.564 1.00 1.51 O ATOM 0 H GLU A 94 -0.218 6.510 -47.095 1.00 71.34 H new ATOM 0 HA GLU A 94 1.077 5.414 -44.673 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.038 7.657 -44.611 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.544 6.903 -45.096 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.851 5.851 -43.028 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.145 5.893 -42.629 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.455 3.487 -44.269 1.00 63.35 N ATOM 1415 CA LYS A 95 -1.155 2.211 -44.165 1.00 74.54 C ATOM 1416 C LYS A 95 -1.625 1.992 -42.736 1.00 2.34 C ATOM 1417 O LYS A 95 -0.884 2.252 -41.783 1.00 24.43 O ATOM 1418 CB LYS A 95 -0.243 1.052 -44.602 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.866 -0.333 -44.413 1.00 64.33 C ATOM 1420 CD LYS A 95 -0.016 -1.462 -45.007 1.00 65.41 C ATOM 1421 CE LYS A 95 1.421 -1.461 -44.480 1.00 1.24 C ATOM 1422 NZ LYS A 95 2.291 -0.502 -45.218 1.00 21.52 N ATOM 0 H LYS A 95 0.182 3.675 -43.495 1.00 63.35 H new ATOM 0 HA LYS A 95 -2.020 2.237 -44.828 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.016 1.183 -45.653 1.00 62.30 H new ATOM 0 HB3 LYS A 95 0.687 1.101 -44.036 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -1.011 -0.517 -43.348 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.853 -0.347 -44.876 1.00 64.33 H new ATOM 0 HD2 LYS A 95 -0.482 -2.421 -44.778 1.00 65.41 H new ATOM 0 HD3 LYS A 95 -0.000 -1.366 -46.093 1.00 65.41 H new ATOM 0 HE2 LYS A 95 1.417 -1.204 -43.421 1.00 1.24 H new ATOM 0 HE3 LYS A 95 1.837 -2.465 -44.563 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 3.028 -1.026 -45.732 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 1.716 0.039 -45.895 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 2.738 0.152 -44.543 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.852 1.516 -42.588 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.434 1.274 -41.280 1.00 55.24 C ATOM 1438 C ALA A 96 -4.174 -0.058 -41.258 1.00 22.35 C ATOM 1439 O ALA A 96 -4.732 -0.489 -42.269 1.00 52.31 O ATOM 1440 CB ALA A 96 -4.376 2.412 -40.902 1.00 14.21 C ATOM 0 H ALA A 96 -3.468 1.288 -43.368 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.628 1.229 -40.547 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.805 2.218 -39.919 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.822 3.350 -40.877 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -5.175 2.483 -41.640 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.173 -0.700 -40.095 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.919 -1.929 -39.889 1.00 4.54 C ATOM 1448 C LEU A 97 -6.305 -1.548 -39.378 1.00 23.15 C ATOM 1449 O LEU A 97 -6.463 -1.124 -38.232 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.165 -2.829 -38.882 1.00 62.35 C ATOM 1451 CG LEU A 97 -4.763 -4.231 -38.623 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -3.686 -5.190 -38.116 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -5.919 -4.168 -37.622 1.00 12.41 C ATOM 0 H LEU A 97 -3.657 -0.383 -39.274 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.021 -2.493 -40.816 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.142 -2.955 -39.238 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.109 -2.302 -37.930 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.152 -4.602 -39.571 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.126 -6.171 -37.940 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -2.895 -5.276 -38.861 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.267 -4.808 -37.185 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.317 -5.170 -37.462 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.559 -3.765 -36.675 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.706 -3.524 -38.015 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.298 -1.660 -40.257 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.643 -1.183 -39.964 1.00 22.33 C ATOM 1467 C PHE A 98 -9.556 -2.356 -39.616 1.00 65.01 C ATOM 1468 O PHE A 98 -9.645 -3.330 -40.365 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.198 -0.412 -41.178 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.331 0.537 -40.855 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -11.560 0.064 -40.421 1.00 1.45 C ATOM 1472 CD2 PHE A 98 -10.162 1.908 -40.994 1.00 54.43 C ATOM 1473 CE1 PHE A 98 -12.595 0.935 -40.133 1.00 61.40 C ATOM 1474 CE2 PHE A 98 -11.192 2.783 -40.709 1.00 53.50 C ATOM 1475 CZ PHE A 98 -12.410 2.295 -40.277 1.00 43.13 C ATOM 0 H PHE A 98 -7.194 -2.079 -41.181 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.604 -0.511 -39.106 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.386 0.154 -41.635 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.544 -1.130 -41.921 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -11.711 -0.999 -40.306 1.00 1.45 H new ATOM 0 HD2 PHE A 98 -9.212 2.296 -41.330 1.00 54.43 H new ATOM 0 HE1 PHE A 98 -13.547 0.551 -39.796 1.00 61.40 H new ATOM 0 HE2 PHE A 98 -11.045 3.847 -40.824 1.00 53.50 H new ATOM 0 HZ PHE A 98 -13.217 2.977 -40.052 1.00 43.13 H new ATOM 1485 N THR A 99 -10.211 -2.266 -38.467 1.00 0.52 N ATOM 1486 CA THR A 99 -11.204 -3.249 -38.066 1.00 41.40 C ATOM 1487 C THR A 99 -12.551 -2.875 -38.685 1.00 32.20 C ATOM 1488 O THR A 99 -13.181 -1.901 -38.269 1.00 23.33 O ATOM 1489 CB THR A 99 -11.328 -3.307 -36.523 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.031 -3.492 -35.936 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.253 -4.437 -36.078 1.00 45.34 C ATOM 0 H THR A 99 -10.070 -1.515 -37.792 1.00 0.52 H new ATOM 0 HA THR A 99 -10.894 -4.233 -38.417 1.00 41.40 H new ATOM 0 HB THR A 99 -11.757 -2.363 -36.187 1.00 71.14 H new ATOM 0 HG1 THR A 99 -9.546 -2.640 -35.938 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.317 -4.448 -34.990 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.247 -4.281 -36.498 1.00 45.34 H new ATOM 0 HG23 THR A 99 -11.857 -5.390 -36.428 1.00 45.34 H new ATOM 1499 N ILE A 100 -12.965 -3.627 -39.701 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.186 -3.328 -40.444 1.00 55.40 C ATOM 1501 C ILE A 100 -15.395 -4.009 -39.798 1.00 14.24 C ATOM 1502 O ILE A 100 -15.510 -5.241 -39.828 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.071 -3.787 -41.924 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -12.925 -3.049 -42.642 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.392 -3.574 -42.662 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -13.184 -1.573 -42.865 1.00 2.12 C ATOM 0 H ILE A 100 -12.468 -4.455 -40.031 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.324 -2.247 -40.419 1.00 55.40 H new ATOM 0 HB ILE A 100 -13.844 -4.853 -41.928 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.012 -3.163 -42.058 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -12.748 -3.526 -43.606 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.288 -3.902 -43.696 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.178 -4.151 -42.175 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -15.654 -2.516 -42.642 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -12.330 -1.127 -43.375 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -14.078 -1.449 -43.476 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -13.330 -1.080 -41.904 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.307 -3.216 -39.195 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.535 -3.743 -38.599 1.00 42.13 C ATOM 1520 C PRO A 101 -18.493 -4.259 -39.671 1.00 14.34 C ATOM 1521 O PRO A 101 -18.643 -3.645 -40.732 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.132 -2.533 -37.867 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.587 -1.348 -38.592 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.211 -1.747 -39.056 1.00 24.24 C ATOM 0 HA PRO A 101 -17.350 -4.590 -37.938 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.221 -2.549 -37.897 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -17.842 -2.523 -36.816 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.222 -1.080 -39.437 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.542 -0.477 -37.939 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -15.952 -1.270 -40.001 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.445 -1.461 -38.335 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.152 -5.374 -39.379 1.00 62.24 N ATOM 1533 CA TYR A 102 -20.020 -6.045 -40.345 1.00 42.32 C ATOM 1534 C TYR A 102 -21.080 -5.098 -40.909 1.00 55.45 C ATOM 1535 O TYR A 102 -21.436 -5.182 -42.083 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.698 -7.261 -39.698 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.711 -6.922 -38.612 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.318 -6.709 -37.293 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -23.067 -6.818 -38.910 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -22.243 -6.410 -36.309 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -23.996 -6.518 -37.931 1.00 11.43 C ATOM 1542 CZ TYR A 102 -23.581 -6.313 -36.634 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.508 -6.018 -35.660 1.00 60.43 O ATOM 0 H TYR A 102 -19.102 -5.838 -38.472 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.393 -6.377 -41.172 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.199 -7.837 -40.476 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -19.929 -7.904 -39.270 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -20.272 -6.779 -37.034 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.400 -6.975 -39.925 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -21.920 -6.253 -35.291 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -25.044 -6.445 -38.183 1.00 11.43 H new ATOM 0 HH TYR A 102 -25.403 -5.986 -36.059 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.560 -4.186 -40.067 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.653 -3.286 -40.435 1.00 73.14 C ATOM 1555 C GLN A 103 -22.270 -2.390 -41.614 1.00 73.11 C ATOM 1556 O GLN A 103 -23.140 -1.871 -42.314 1.00 64.20 O ATOM 1557 CB GLN A 103 -23.063 -2.429 -39.228 1.00 20.21 C ATOM 1558 CG GLN A 103 -21.955 -1.516 -38.717 1.00 52.32 C ATOM 1559 CD GLN A 103 -22.377 -0.695 -37.510 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -23.201 -1.129 -36.706 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -21.819 0.498 -37.374 1.00 41.41 N ATOM 0 H GLN A 103 -21.208 -4.050 -39.120 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.500 -3.899 -40.744 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.925 -1.821 -39.502 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.381 -3.086 -38.419 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -21.086 -2.119 -38.454 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -21.646 -0.844 -39.518 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -21.139 0.824 -38.061 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -22.069 1.091 -36.582 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.969 -2.229 -41.840 1.00 62.14 N ATOM 1571 CA LEU A 104 -20.467 -1.368 -42.909 1.00 32.30 C ATOM 1572 C LEU A 104 -19.766 -2.196 -43.983 1.00 63.52 C ATOM 1573 O LEU A 104 -19.004 -1.659 -44.788 1.00 31.32 O ATOM 1574 CB LEU A 104 -19.494 -0.320 -42.338 1.00 72.14 C ATOM 1575 CG LEU A 104 -20.096 0.662 -41.312 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -19.028 1.621 -40.793 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -21.264 1.437 -41.922 1.00 71.42 C ATOM 0 H LEU A 104 -20.239 -2.686 -41.294 1.00 62.14 H new ATOM 0 HA LEU A 104 -21.316 -0.856 -43.362 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.661 -0.843 -41.868 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -19.082 0.256 -43.167 1.00 72.14 H new ATOM 0 HG LEU A 104 -20.475 0.082 -40.470 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -19.473 2.305 -40.071 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -18.232 1.053 -40.312 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -18.615 2.191 -41.625 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -21.672 2.123 -41.180 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -20.914 2.003 -42.785 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -22.040 0.739 -42.236 1.00 71.42 H new ATOM 1589 N ALA A 105 -20.046 -3.497 -44.011 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.368 -4.400 -44.934 1.00 15.02 C ATOM 1591 C ALA A 105 -20.292 -5.514 -45.412 1.00 14.10 C ATOM 1592 O ALA A 105 -21.405 -5.683 -44.904 1.00 75.53 O ATOM 1593 CB ALA A 105 -18.127 -4.998 -44.280 1.00 53.05 C ATOM 0 H ALA A 105 -20.735 -3.947 -43.408 1.00 62.01 H new ATOM 0 HA ALA A 105 -19.069 -3.814 -45.803 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.633 -5.669 -44.983 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.442 -4.198 -44.000 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.418 -5.555 -43.389 1.00 53.05 H new ATOM 1599 N TYR A 106 -19.805 -6.277 -46.390 1.00 54.43 N ATOM 1600 CA TYR A 106 -20.529 -7.424 -46.933 1.00 22.33 C ATOM 1601 C TYR A 106 -20.538 -8.578 -45.930 1.00 52.22 C ATOM 1602 O TYR A 106 -21.343 -9.507 -46.041 1.00 2.43 O ATOM 1603 CB TYR A 106 -19.885 -7.877 -48.257 1.00 62.33 C ATOM 1604 CG TYR A 106 -18.432 -8.314 -48.120 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -17.395 -7.382 -48.144 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -18.099 -9.657 -47.969 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -16.075 -7.776 -48.014 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -16.781 -10.056 -47.838 1.00 43.13 C ATOM 1609 CZ TYR A 106 -15.773 -9.113 -47.863 1.00 60.03 C ATOM 1610 OH TYR A 106 -14.459 -9.506 -47.727 1.00 3.12 O ATOM 0 H TYR A 106 -18.898 -6.117 -46.828 1.00 54.43 H new ATOM 0 HA TYR A 106 -21.560 -7.125 -47.124 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -20.465 -8.703 -48.668 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -19.942 -7.059 -48.976 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -17.626 -6.334 -48.266 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -18.883 -10.400 -47.954 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -15.285 -7.040 -48.031 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -16.541 -11.102 -47.717 1.00 43.13 H new ATOM 0 HH TYR A 106 -14.417 -10.480 -47.629 1.00 3.12 H new ATOM 1620 N GLY A 107 -19.632 -8.507 -44.950 1.00 75.14 N ATOM 1621 CA GLY A 107 -19.529 -9.537 -43.924 1.00 10.44 C ATOM 1622 C GLY A 107 -20.803 -9.673 -43.113 1.00 30.53 C ATOM 1623 O GLY A 107 -20.998 -10.663 -42.407 1.00 60.22 O ATOM 0 H GLY A 107 -18.961 -7.745 -44.850 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.297 -10.493 -44.394 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -18.700 -9.300 -43.257 1.00 10.44 H new ATOM 1627 N GLU A 108 -21.668 -8.665 -43.209 1.00 42.23 N ATOM 1628 CA GLU A 108 -22.973 -8.699 -42.560 1.00 2.53 C ATOM 1629 C GLU A 108 -23.845 -9.786 -43.189 1.00 1.12 C ATOM 1630 O GLU A 108 -24.459 -10.587 -42.484 1.00 70.21 O ATOM 1631 CB GLU A 108 -23.635 -7.313 -42.651 1.00 42.32 C ATOM 1632 CG GLU A 108 -24.999 -7.197 -41.965 1.00 4.21 C ATOM 1633 CD GLU A 108 -26.157 -7.524 -42.894 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -26.364 -6.768 -43.867 1.00 42.51 O ATOM 1635 OE2 GLU A 108 -26.873 -8.517 -42.648 1.00 64.21 O ATOM 0 H GLU A 108 -21.485 -7.810 -43.734 1.00 42.23 H new ATOM 0 HA GLU A 108 -22.852 -8.945 -41.505 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -22.962 -6.577 -42.212 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -23.752 -7.052 -43.703 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -25.027 -7.869 -41.107 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -25.122 -6.184 -41.581 1.00 4.21 H new ATOM 1642 N ARG A 109 -23.860 -9.825 -44.518 1.00 41.24 N ATOM 1643 CA ARG A 109 -24.647 -10.814 -45.254 1.00 2.14 C ATOM 1644 C ARG A 109 -23.911 -12.159 -45.247 1.00 64.15 C ATOM 1645 O ARG A 109 -24.476 -13.190 -44.870 1.00 50.12 O ATOM 1646 CB ARG A 109 -24.901 -10.309 -46.695 1.00 42.44 C ATOM 1647 CG ARG A 109 -25.981 -11.077 -47.473 1.00 24.32 C ATOM 1648 CD ARG A 109 -25.504 -12.452 -47.932 1.00 60.10 C ATOM 1649 NE ARG A 109 -26.509 -13.166 -48.726 1.00 12.51 N ATOM 1650 CZ ARG A 109 -26.558 -14.497 -48.842 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -25.679 -15.257 -48.198 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -27.481 -15.064 -49.611 1.00 72.20 N ATOM 0 H ARG A 109 -23.335 -9.182 -45.110 1.00 41.24 H new ATOM 0 HA ARG A 109 -25.615 -10.956 -44.774 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -25.186 -9.258 -46.650 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -23.966 -10.363 -47.253 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -26.864 -11.193 -46.844 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -26.283 -10.492 -48.342 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -24.595 -12.338 -48.523 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -25.244 -13.051 -47.059 1.00 60.10 H new ATOM 0 HE ARG A 109 -27.212 -12.615 -49.219 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -24.964 -14.825 -47.613 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -25.719 -16.272 -48.289 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -28.153 -14.484 -50.113 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -27.518 -16.080 -49.699 1.00 72.20 H new ATOM 1666 N GLY A 110 -22.644 -12.133 -45.664 1.00 51.44 N ATOM 1667 CA GLY A 110 -21.821 -13.334 -45.673 1.00 74.31 C ATOM 1668 C GLY A 110 -22.189 -14.299 -46.791 1.00 44.44 C ATOM 1669 O GLY A 110 -23.328 -14.314 -47.259 1.00 52.23 O ATOM 0 H GLY A 110 -22.170 -11.294 -45.998 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -20.774 -13.049 -45.776 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -21.920 -13.843 -44.714 1.00 74.31 H new ATOM 1673 N TYR A 111 -21.218 -15.100 -47.224 1.00 14.34 N ATOM 1674 CA TYR A 111 -21.434 -16.113 -48.265 1.00 51.25 C ATOM 1675 C TYR A 111 -20.629 -17.386 -47.958 1.00 15.01 C ATOM 1676 O TYR A 111 -21.215 -18.459 -47.800 1.00 51.22 O ATOM 1677 CB TYR A 111 -21.077 -15.580 -49.670 1.00 51.01 C ATOM 1678 CG TYR A 111 -22.120 -14.670 -50.296 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -23.162 -15.199 -51.053 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -22.049 -13.288 -50.153 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -24.098 -14.378 -51.649 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -22.986 -12.462 -50.744 1.00 42.35 C ATOM 1683 CZ TYR A 111 -24.006 -13.011 -51.490 1.00 75.40 C ATOM 1684 OH TYR A 111 -24.934 -12.188 -52.085 1.00 34.13 O ATOM 0 H TYR A 111 -20.263 -15.069 -46.868 1.00 14.34 H new ATOM 0 HA TYR A 111 -22.496 -16.357 -48.264 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -20.134 -15.037 -49.607 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -20.913 -16.429 -50.333 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -23.239 -16.269 -51.176 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -21.249 -12.854 -49.571 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -24.898 -14.804 -52.237 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -22.919 -11.391 -50.622 1.00 42.35 H new ATOM 0 HH TYR A 111 -24.726 -11.254 -51.873 1.00 34.13 H new ATOM 1694 N PRO A 112 -19.275 -17.305 -47.859 1.00 71.14 N ATOM 1695 CA PRO A 112 -18.448 -18.480 -47.573 1.00 74.05 C ATOM 1696 C PRO A 112 -18.354 -18.760 -46.069 1.00 44.53 C ATOM 1697 O PRO A 112 -18.422 -17.835 -45.262 1.00 35.22 O ATOM 1698 CB PRO A 112 -17.086 -18.072 -48.143 1.00 3.14 C ATOM 1699 CG PRO A 112 -17.019 -16.597 -47.919 1.00 55.31 C ATOM 1700 CD PRO A 112 -18.441 -16.087 -48.007 1.00 34.32 C ATOM 0 HA PRO A 112 -18.848 -19.398 -48.002 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -16.271 -18.589 -47.636 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -17.008 -18.317 -49.202 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -16.585 -16.371 -46.945 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -16.388 -16.119 -48.668 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -18.653 -15.361 -47.222 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -18.628 -15.590 -48.959 1.00 34.32 H new ATOM 1708 N PRO A 113 -18.171 -20.036 -45.672 1.00 75.52 N ATOM 1709 CA PRO A 113 -18.120 -20.428 -44.253 1.00 14.13 C ATOM 1710 C PRO A 113 -16.986 -19.733 -43.489 1.00 51.33 C ATOM 1711 O PRO A 113 -17.024 -19.626 -42.262 1.00 50.55 O ATOM 1712 CB PRO A 113 -17.897 -21.952 -44.304 1.00 71.32 C ATOM 1713 CG PRO A 113 -17.362 -22.218 -45.672 1.00 43.15 C ATOM 1714 CD PRO A 113 -18.005 -21.195 -46.567 1.00 14.23 C ATOM 0 HA PRO A 113 -19.027 -20.140 -43.721 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -17.194 -22.274 -43.536 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -18.827 -22.493 -44.132 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -16.276 -22.128 -45.692 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -17.604 -23.230 -45.997 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -17.377 -20.957 -47.425 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -18.961 -21.544 -46.959 1.00 14.23 H new ATOM 1722 N VAL A 114 -15.980 -19.265 -44.224 1.00 63.42 N ATOM 1723 CA VAL A 114 -14.853 -18.547 -43.626 1.00 23.21 C ATOM 1724 C VAL A 114 -15.283 -17.154 -43.163 1.00 74.31 C ATOM 1725 O VAL A 114 -14.651 -16.556 -42.288 1.00 2.15 O ATOM 1726 CB VAL A 114 -13.662 -18.425 -44.614 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -13.152 -19.807 -45.020 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -14.052 -17.609 -45.845 1.00 53.14 C ATOM 0 H VAL A 114 -15.921 -19.370 -45.237 1.00 63.42 H new ATOM 0 HA VAL A 114 -14.523 -19.127 -42.764 1.00 23.21 H new ATOM 0 HB VAL A 114 -12.855 -17.899 -44.104 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -12.317 -19.698 -45.713 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -12.820 -20.347 -44.133 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -13.955 -20.363 -45.504 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -13.199 -17.539 -46.520 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -14.881 -18.097 -46.357 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -14.354 -16.608 -45.537 1.00 53.14 H new ATOM 1738 N ILE A 115 -16.368 -16.654 -43.756 1.00 51.04 N ATOM 1739 CA ILE A 115 -16.948 -15.363 -43.388 1.00 15.41 C ATOM 1740 C ILE A 115 -18.401 -15.570 -42.956 1.00 5.40 C ATOM 1741 O ILE A 115 -19.314 -15.519 -43.784 1.00 35.31 O ATOM 1742 CB ILE A 115 -16.902 -14.348 -44.566 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -15.457 -14.120 -45.042 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -17.546 -13.020 -44.165 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -14.552 -13.498 -43.996 1.00 54.20 C ATOM 0 H ILE A 115 -16.869 -17.133 -44.505 1.00 51.04 H new ATOM 0 HA ILE A 115 -16.358 -14.951 -42.569 1.00 15.41 H new ATOM 0 HB ILE A 115 -17.471 -14.772 -45.393 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -15.033 -15.075 -45.352 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -15.473 -13.477 -45.922 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -17.502 -12.326 -45.005 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -18.587 -13.189 -43.888 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.009 -12.597 -43.316 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -13.552 -13.370 -44.410 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -14.950 -12.527 -43.702 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -14.503 -14.149 -43.123 1.00 54.20 H new ATOM 1757 N PRO A 116 -18.627 -15.862 -41.661 1.00 1.54 N ATOM 1758 CA PRO A 116 -19.979 -16.069 -41.127 1.00 4.42 C ATOM 1759 C PRO A 116 -20.820 -14.791 -41.198 1.00 1.54 C ATOM 1760 O PRO A 116 -20.274 -13.690 -41.259 1.00 44.24 O ATOM 1761 CB PRO A 116 -19.732 -16.493 -39.666 1.00 0.11 C ATOM 1762 CG PRO A 116 -18.374 -15.967 -39.337 1.00 2.34 C ATOM 1763 CD PRO A 116 -17.591 -16.018 -40.621 1.00 73.41 C ATOM 0 HA PRO A 116 -20.541 -16.809 -41.696 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -20.489 -16.077 -39.001 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -19.773 -17.577 -39.557 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -18.432 -14.948 -38.955 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -17.898 -16.571 -38.565 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -16.849 -15.221 -40.671 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -17.054 -16.961 -40.727 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.160 -14.921 -41.215 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.062 -13.762 -41.242 1.00 23.42 C ATOM 1773 C PRO A 117 -22.762 -12.769 -40.117 1.00 61.41 C ATOM 1774 O PRO A 117 -22.533 -13.165 -38.968 1.00 22.34 O ATOM 1775 CB PRO A 117 -24.452 -14.386 -41.061 1.00 44.33 C ATOM 1776 CG PRO A 117 -24.305 -15.776 -41.583 1.00 52.33 C ATOM 1777 CD PRO A 117 -22.903 -16.197 -41.229 1.00 32.41 C ATOM 0 HA PRO A 117 -22.961 -13.185 -42.161 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -24.755 -14.385 -40.014 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.211 -13.832 -41.613 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -25.040 -16.443 -41.133 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -24.463 -15.808 -42.661 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -22.865 -16.696 -40.260 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -22.494 -16.893 -41.962 1.00 32.41 H new ATOM 1785 N LYS A 118 -22.754 -11.483 -40.466 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.526 -10.405 -39.505 1.00 22.13 C ATOM 1787 C LYS A 118 -21.143 -10.511 -38.862 1.00 41.51 C ATOM 1788 O LYS A 118 -20.958 -10.154 -37.696 1.00 20.11 O ATOM 1789 CB LYS A 118 -23.636 -10.400 -38.441 1.00 64.12 C ATOM 1790 CG LYS A 118 -25.023 -10.137 -39.025 1.00 0.22 C ATOM 1791 CD LYS A 118 -26.105 -10.108 -37.952 1.00 12.22 C ATOM 1792 CE LYS A 118 -27.470 -9.768 -38.542 1.00 54.44 C ATOM 1793 NZ LYS A 118 -28.526 -9.732 -37.500 1.00 73.32 N ATOM 0 H LYS A 118 -22.905 -11.160 -41.422 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.558 -9.457 -40.042 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -23.641 -11.360 -37.925 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.412 -9.638 -37.694 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -25.016 -9.186 -39.557 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -25.260 -10.910 -39.756 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -26.153 -11.078 -37.456 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -25.844 -9.373 -37.190 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -27.419 -8.801 -39.042 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -27.732 -10.506 -39.300 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -29.439 -9.498 -37.939 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -28.592 -10.662 -37.040 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -28.288 -9.011 -36.790 1.00 73.32 H new ATOM 1807 N ALA A 119 -20.167 -10.962 -39.646 1.00 25.12 N ATOM 1808 CA ALA A 119 -18.796 -11.110 -39.161 1.00 55.24 C ATOM 1809 C ALA A 119 -17.987 -9.831 -39.366 1.00 12.24 C ATOM 1810 O ALA A 119 -17.908 -9.304 -40.479 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.107 -12.278 -39.852 1.00 71.50 C ATOM 0 H ALA A 119 -20.300 -11.232 -40.621 1.00 25.12 H new ATOM 0 HA ALA A 119 -18.848 -11.309 -38.091 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -17.088 -12.372 -39.478 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -18.655 -13.197 -39.646 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.084 -12.102 -40.927 1.00 71.50 H new ATOM 1817 N THR A 120 -17.409 -9.329 -38.280 1.00 51.12 N ATOM 1818 CA THR A 120 -16.453 -8.229 -38.343 1.00 71.23 C ATOM 1819 C THR A 120 -15.116 -8.745 -38.892 1.00 20.24 C ATOM 1820 O THR A 120 -14.617 -9.777 -38.435 1.00 3.02 O ATOM 1821 CB THR A 120 -16.251 -7.607 -36.942 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.511 -7.134 -36.436 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.249 -6.456 -36.972 1.00 44.33 C ATOM 0 H THR A 120 -17.589 -9.671 -37.336 1.00 51.12 H new ATOM 0 HA THR A 120 -16.842 -7.457 -39.007 1.00 71.23 H new ATOM 0 HB THR A 120 -15.852 -8.382 -36.288 1.00 65.31 H new ATOM 0 HG1 THR A 120 -17.380 -6.742 -35.547 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.135 -6.046 -35.968 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.285 -6.822 -37.326 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.610 -5.677 -37.643 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.535 -8.029 -39.854 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.360 -8.525 -40.579 1.00 73.03 C ATOM 1833 C LEU A 121 -12.261 -7.458 -40.582 1.00 70.13 C ATOM 1834 O LEU A 121 -12.553 -6.263 -40.534 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.784 -8.912 -42.018 1.00 5.25 C ATOM 1836 CG LEU A 121 -12.969 -10.028 -42.712 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.611 -9.525 -43.189 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -12.804 -11.231 -41.785 1.00 11.54 C ATOM 0 H LEU A 121 -14.855 -7.107 -40.150 1.00 2.41 H new ATOM 0 HA LEU A 121 -12.957 -9.410 -40.087 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -14.829 -9.221 -41.992 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.732 -8.018 -42.639 1.00 5.25 H new ATOM 0 HG LEU A 121 -13.529 -10.341 -43.593 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -11.070 -10.339 -43.671 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.754 -8.713 -43.902 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -11.037 -9.163 -42.336 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -12.228 -12.005 -42.292 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -12.281 -10.924 -40.880 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -13.786 -11.624 -41.521 1.00 11.54 H new ATOM 1850 N VAL A 122 -10.994 -7.885 -40.626 1.00 31.41 N ATOM 1851 CA VAL A 122 -9.874 -6.951 -40.567 1.00 43.23 C ATOM 1852 C VAL A 122 -9.341 -6.672 -41.968 1.00 70.11 C ATOM 1853 O VAL A 122 -9.103 -7.596 -42.739 1.00 44.44 O ATOM 1854 CB VAL A 122 -8.726 -7.501 -39.687 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -7.546 -6.531 -39.654 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.227 -7.804 -38.275 1.00 74.23 C ATOM 0 H VAL A 122 -10.724 -8.866 -40.702 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.243 -6.027 -40.122 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.376 -8.433 -40.130 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -6.754 -6.943 -39.029 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.169 -6.382 -40.666 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -7.872 -5.575 -39.244 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -8.405 -8.190 -37.672 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -9.612 -6.891 -37.822 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.022 -8.548 -38.323 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.163 -5.402 -42.299 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.609 -5.016 -43.590 1.00 14.15 C ATOM 1868 C PHE A 123 -7.474 -4.015 -43.410 1.00 24.01 C ATOM 1869 O PHE A 123 -7.671 -2.932 -42.855 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.700 -4.420 -44.498 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.611 -5.452 -45.119 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -10.264 -6.067 -46.313 1.00 52.10 C ATOM 1873 CD2 PHE A 123 -11.811 -5.806 -44.513 1.00 51.11 C ATOM 1874 CE1 PHE A 123 -11.091 -7.014 -46.890 1.00 34.12 C ATOM 1875 CE2 PHE A 123 -12.639 -6.751 -45.086 1.00 23.22 C ATOM 1876 CZ PHE A 123 -12.278 -7.356 -46.275 1.00 24.21 C ATOM 0 H PHE A 123 -9.395 -4.618 -41.689 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.213 -5.913 -44.067 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -10.302 -3.722 -43.916 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -9.224 -3.845 -45.292 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -9.336 -5.803 -46.798 1.00 52.10 H new ATOM 0 HD2 PHE A 123 -12.099 -5.337 -43.584 1.00 51.11 H new ATOM 0 HE1 PHE A 123 -10.808 -7.485 -47.820 1.00 34.12 H new ATOM 0 HE2 PHE A 123 -13.569 -7.017 -44.605 1.00 23.22 H new ATOM 0 HZ PHE A 123 -12.925 -8.096 -46.723 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.282 -4.400 -43.852 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.151 -3.488 -43.902 1.00 51.31 C ATOM 1888 C GLU A 124 -5.308 -2.581 -45.110 1.00 24.30 C ATOM 1889 O GLU A 124 -5.179 -3.034 -46.247 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.830 -4.261 -43.996 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.496 -5.083 -42.759 1.00 23.21 C ATOM 1892 CD GLU A 124 -2.134 -5.748 -42.873 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -1.116 -5.027 -42.852 1.00 32.21 O ATOM 1894 OE2 GLU A 124 -2.069 -6.983 -43.009 1.00 21.31 O ATOM 0 H GLU A 124 -6.076 -5.343 -44.182 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.129 -2.894 -42.988 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.872 -4.925 -44.859 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.021 -3.554 -44.177 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.514 -4.439 -41.879 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -4.261 -5.845 -42.612 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.629 -1.320 -44.861 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.831 -0.344 -45.927 1.00 0.42 C ATOM 1903 C VAL A 125 -4.597 0.542 -46.075 1.00 41.00 C ATOM 1904 O VAL A 125 -3.908 0.825 -45.091 1.00 20.15 O ATOM 1905 CB VAL A 125 -7.088 0.528 -45.665 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -8.361 -0.301 -45.824 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -7.038 1.161 -44.275 1.00 11.44 C ATOM 0 H VAL A 125 -5.757 -0.944 -43.921 1.00 22.33 H new ATOM 0 HA VAL A 125 -5.990 -0.892 -46.856 1.00 0.42 H new ATOM 0 HB VAL A 125 -7.099 1.329 -46.404 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -9.231 0.328 -45.636 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -8.412 -0.698 -46.838 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -8.349 -1.126 -45.112 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.931 1.766 -44.119 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.994 0.377 -43.519 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -6.153 1.792 -44.194 1.00 11.44 H new ATOM 1917 N GLU A 126 -4.317 0.973 -47.301 1.00 43.13 N ATOM 1918 CA GLU A 126 -3.119 1.756 -47.594 1.00 63.02 C ATOM 1919 C GLU A 126 -3.360 2.689 -48.781 1.00 75.21 C ATOM 1920 O GLU A 126 -3.840 2.260 -49.831 1.00 73.13 O ATOM 1921 CB GLU A 126 -1.944 0.807 -47.881 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.630 1.503 -48.232 1.00 43.20 C ATOM 1923 CD GLU A 126 0.552 0.542 -48.232 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.562 -0.395 -49.059 1.00 32.43 O ATOM 1925 OE2 GLU A 126 1.465 0.705 -47.386 1.00 33.31 O ATOM 0 H GLU A 126 -4.907 0.792 -48.113 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.877 2.372 -46.728 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.783 0.176 -47.007 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -2.221 0.147 -48.703 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.718 1.967 -49.215 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.444 2.304 -47.517 1.00 43.20 H new ATOM 1932 N LEU A 127 -3.043 3.965 -48.598 1.00 44.31 N ATOM 1933 CA LEU A 127 -3.171 4.965 -49.656 1.00 71.21 C ATOM 1934 C LEU A 127 -1.810 5.137 -50.340 1.00 21.13 C ATOM 1935 O LEU A 127 -0.848 5.566 -49.709 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.665 6.300 -49.046 1.00 2.35 C ATOM 1937 CG LEU A 127 -4.137 7.403 -50.026 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -2.975 8.004 -50.811 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.208 6.868 -50.972 1.00 41.12 C ATOM 0 H LEU A 127 -2.691 4.337 -47.716 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.899 4.643 -50.401 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -4.490 6.076 -48.369 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.858 6.712 -48.440 1.00 2.35 H new ATOM 0 HG LEU A 127 -4.572 8.202 -49.426 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.351 8.773 -51.486 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -2.259 8.447 -50.119 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.484 7.222 -51.390 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.523 7.661 -51.650 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -4.802 6.037 -51.549 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -6.065 6.523 -50.394 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.728 4.792 -51.623 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.467 4.885 -52.365 1.00 30.41 C ATOM 1953 C LEU A 128 -0.328 6.248 -53.039 1.00 2.23 C ATOM 1954 O LEU A 128 0.740 6.860 -53.003 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.359 3.764 -53.416 1.00 73.21 C ATOM 1956 CG LEU A 128 -0.083 2.352 -52.862 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.193 2.336 -52.021 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -1.274 1.833 -52.056 1.00 51.52 C ATOM 0 H LEU A 128 -2.515 4.446 -52.171 1.00 14.43 H new ATOM 0 HA LEU A 128 0.345 4.767 -51.648 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.287 3.735 -53.986 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.437 4.022 -54.115 1.00 73.21 H new ATOM 0 HG LEU A 128 0.062 1.683 -53.710 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.366 1.329 -51.641 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.039 2.642 -52.637 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.086 3.026 -51.184 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -1.050 0.835 -51.678 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.467 2.504 -51.219 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -2.155 1.789 -52.696 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.411 6.719 -53.644 1.00 4.43 N ATOM 1971 CA ALA A 129 -1.413 7.999 -54.348 1.00 1.24 C ATOM 1972 C ALA A 129 -2.801 8.629 -54.301 1.00 55.22 C ATOM 1973 O ALA A 129 -3.807 7.945 -54.508 1.00 1.51 O ATOM 1974 CB ALA A 129 -0.944 7.821 -55.791 1.00 14.11 C ATOM 0 H ALA A 129 -2.306 6.231 -53.662 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.716 8.671 -53.848 1.00 1.24 H new ATOM 0 HB1 ALA A 129 -0.953 8.786 -56.298 1.00 14.11 H new ATOM 0 HB2 ALA A 129 0.068 7.417 -55.797 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -1.613 7.133 -56.309 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.848 9.927 -54.015 1.00 71.35 N ATOM 1981 CA VAL A 130 -4.111 10.651 -53.879 1.00 3.33 C ATOM 1982 C VAL A 130 -4.361 11.566 -55.088 1.00 10.44 C ATOM 1983 O VAL A 130 -3.654 12.586 -55.244 1.00 70.32 O ATOM 1984 CB VAL A 130 -4.163 11.457 -52.547 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -2.913 12.326 -52.358 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -5.435 12.303 -52.475 1.00 32.12 C ATOM 1987 OXT VAL A 130 -5.280 11.273 -55.874 1.00 0.00 O ATOM 0 H VAL A 130 -2.019 10.504 -53.872 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.911 9.911 -53.849 1.00 3.33 H new ATOM 0 HB VAL A 130 -4.183 10.737 -51.729 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -2.988 12.872 -51.418 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -2.028 11.691 -52.339 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -2.834 13.034 -53.183 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -5.451 12.857 -51.537 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -5.454 13.003 -53.310 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -6.308 11.652 -52.527 1.00 32.12 H new TER 1997 VAL A 130