USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 992 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 82 CYS SG : rot 180:sc= 0.613 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.907 K(o=1.5,f=-3.2!) USER MOD Set 2.1: A 16 GLN : amide:sc= 1.1 K(o=9.9,f=-4.6!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -178:sc= 2.38 (180deg=1.2) USER MOD Set 2.3: A 34 SER OG : rot -52:sc= 1.2 USER MOD Set 2.4: A 39 SER OG : rot 180:sc= 0.646 USER MOD Set 2.5: A 40 SER OG : rot -55:sc= 1.13 USER MOD Set 2.6: A 60 GLN : amide:sc= 2.17 K(o=9.9,f=-4.6!) USER MOD Set 2.7: A 62 SER OG : rot -88:sc= 1.23 USER MOD Set 3.1: A 8 CYS SG : rot 76:sc= 0.445 USER MOD Set 3.2: A 12 SER OG : rot 165:sc= 0.7 USER MOD Set 3.3: A 80 CYS SG : rot -170:sc= -0.0636 USER MOD Set 4.1: A 5 MET CE :methyl -159:sc= -0.0876 (180deg=-1.47) USER MOD Set 4.2: A 35 CYS SG : rot -95:sc= -1.32 USER MOD Set 4.3: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 2 LYS NZ :NH3+ 150:sc= 0.89 (180deg=0) USER MOD Set 5.2: A 131 SER OG : rot -161:sc= 1.54 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= 1.29 (180deg=1.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.915 K(o=0.91,f=-4.7!) USER MOD Single : A 13 CYS SG : rot -53:sc= 1.13 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00981 USER MOD Single : A 17 MET CE :methyl 148:sc= -0.455 (180deg=-2.45) USER MOD Single : A 24 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -164:sc= -0.0149 (180deg=-0.0637) USER MOD Single : A 50 MET CE :methyl -173:sc= 0 (180deg=-0.0377) USER MOD Single : A 58 SER OG : rot 180:sc= 0.028 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 2.31 K(o=2.3,f=-0.0027) USER MOD Single : A 69 ASN : amide:sc= 0.83 K(o=0.83,f=-8.1!) USER MOD Single : A 78 SER OG : rot -95:sc= 1.24 USER MOD Single : A 85 ASN : amide:sc=-0.00968 K(o=-0.0097,f=-1.1) USER MOD Single : A 92 THR OG1 : rot -31:sc= 0.215 USER MOD Single : A 93 GLN : amide:sc= 0.757 K(o=0.76,f=-6.8!) USER MOD Single : A 107 GLN : amide:sc= 1.99 K(o=2,f=-0.001) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.049) USER MOD Single : A 120 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.19) USER MOD Single : A 125 ASN : amide:sc= 0.422 X(o=0.42,f=-0.015) USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.617 2.534 1.506 1.00 0.00 N ATOM 2 CA MET A 1 4.484 2.167 0.056 1.00 0.00 C ATOM 3 C MET A 1 5.318 0.914 -0.278 1.00 0.00 C ATOM 4 O MET A 1 6.442 0.786 0.202 1.00 0.00 O ATOM 5 CB MET A 1 4.852 3.366 -0.861 1.00 0.00 C ATOM 6 CG MET A 1 4.750 3.084 -2.371 1.00 0.00 C ATOM 7 SD MET A 1 3.144 2.470 -2.961 1.00 0.00 S ATOM 8 CE MET A 1 2.182 4.010 -3.020 1.00 0.00 C ATOM 0 H1 MET A 1 4.046 3.380 1.704 1.00 0.00 H new ATOM 0 H2 MET A 1 4.283 1.745 2.096 1.00 0.00 H new ATOM 0 H3 MET A 1 5.615 2.731 1.724 1.00 0.00 H new ATOM 0 HA MET A 1 3.439 1.922 -0.135 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.199 4.204 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.871 3.679 -0.633 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.985 4.003 -2.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.515 2.355 -2.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.171 3.794 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.139 4.451 -2.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.658 4.710 -3.706 1.00 0.00 H new ATOM 18 N LYS A 2 4.804 0.010 -1.132 1.00 0.00 N ATOM 19 CA LYS A 2 5.514 -1.197 -1.607 1.00 0.00 C ATOM 20 C LYS A 2 6.679 -0.862 -2.528 1.00 0.00 C ATOM 21 O LYS A 2 6.540 -0.034 -3.430 1.00 0.00 O ATOM 22 CB LYS A 2 4.548 -2.232 -2.214 1.00 0.00 C ATOM 23 CG LYS A 2 3.664 -1.704 -3.347 1.00 0.00 C ATOM 24 CD LYS A 2 2.587 -2.740 -3.709 1.00 0.00 C ATOM 25 CE LYS A 2 1.659 -2.226 -4.817 1.00 0.00 C ATOM 26 NZ LYS A 2 0.661 -1.218 -4.343 1.00 0.00 N ATOM 0 H LYS A 2 3.865 0.098 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 2 5.957 -1.669 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.130 -3.074 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.906 -2.616 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.192 -0.769 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.275 -1.484 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.065 -3.664 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.999 -2.979 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.263 -1.782 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.129 -3.071 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.434 -0.563 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.205 -1.705 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.059 -0.684 -3.545 1.00 0.00 H new ATOM 40 N LYS A 3 7.817 -1.521 -2.308 1.00 0.00 N ATOM 41 CA LYS A 3 9.062 -1.278 -3.049 1.00 0.00 C ATOM 42 C LYS A 3 9.396 -2.430 -3.992 1.00 0.00 C ATOM 43 O LYS A 3 9.442 -3.585 -3.578 1.00 0.00 O ATOM 44 CB LYS A 3 10.183 -0.980 -2.042 1.00 0.00 C ATOM 45 CG LYS A 3 11.427 -0.336 -2.681 1.00 0.00 C ATOM 46 CD LYS A 3 12.518 -0.003 -1.646 1.00 0.00 C ATOM 47 CE LYS A 3 12.044 1.027 -0.607 1.00 0.00 C ATOM 48 NZ LYS A 3 13.124 1.390 0.352 1.00 0.00 N ATOM 0 H LYS A 3 7.904 -2.250 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 3 8.941 -0.410 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.798 -0.317 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.476 -1.908 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.837 -1.012 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.133 0.576 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.822 -0.917 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.398 0.382 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.697 1.925 -1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.193 0.623 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.939 2.337 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.148 0.696 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.040 1.391 -0.141 1.00 0.00 H new ATOM 62 N VAL A 4 9.644 -2.084 -5.254 1.00 0.00 N ATOM 63 CA VAL A 4 10.037 -2.995 -6.333 1.00 0.00 C ATOM 64 C VAL A 4 11.561 -3.031 -6.460 1.00 0.00 C ATOM 65 O VAL A 4 12.172 -1.997 -6.714 1.00 0.00 O ATOM 66 CB VAL A 4 9.399 -2.570 -7.672 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.702 -3.595 -8.774 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.871 -2.444 -7.570 1.00 0.00 C ATOM 0 H VAL A 4 9.574 -1.116 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 4 9.677 -3.994 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 4 9.831 -1.600 -7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.241 -3.272 -9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.781 -3.675 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.300 -4.567 -8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.465 -2.143 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.445 -3.405 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.617 -1.695 -6.820 1.00 0.00 H new ATOM 78 N MET A 5 12.184 -4.199 -6.306 1.00 0.00 N ATOM 79 CA MET A 5 13.602 -4.387 -6.640 1.00 0.00 C ATOM 80 C MET A 5 13.710 -5.050 -8.013 1.00 0.00 C ATOM 81 O MET A 5 13.143 -6.124 -8.205 1.00 0.00 O ATOM 82 CB MET A 5 14.324 -5.238 -5.586 1.00 0.00 C ATOM 83 CG MET A 5 15.820 -5.384 -5.896 1.00 0.00 C ATOM 84 SD MET A 5 16.789 -3.857 -5.808 1.00 0.00 S ATOM 85 CE MET A 5 17.475 -4.046 -4.140 1.00 0.00 C ATOM 0 H MET A 5 11.727 -5.038 -5.949 1.00 0.00 H new ATOM 0 HA MET A 5 14.084 -3.410 -6.658 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.199 -4.782 -4.604 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.865 -6.225 -5.540 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.248 -6.106 -5.200 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.926 -5.804 -6.896 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.783 -3.072 -3.761 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.717 -4.469 -3.481 1.00 0.00 H new ATOM 0 HE3 MET A 5 18.338 -4.711 -4.175 1.00 0.00 H new ATOM 95 N PHE A 6 14.472 -4.469 -8.939 1.00 0.00 N ATOM 96 CA PHE A 6 14.828 -5.115 -10.210 1.00 0.00 C ATOM 97 C PHE A 6 16.230 -5.743 -10.141 1.00 0.00 C ATOM 98 O PHE A 6 17.194 -5.037 -9.845 1.00 0.00 O ATOM 99 CB PHE A 6 14.672 -4.109 -11.356 1.00 0.00 C ATOM 100 CG PHE A 6 13.228 -3.739 -11.631 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.402 -4.651 -12.307 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.693 -2.511 -11.202 1.00 0.00 C ATOM 103 CE1 PHE A 6 11.067 -4.325 -12.589 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.353 -2.187 -11.490 1.00 0.00 C ATOM 105 CZ PHE A 6 10.546 -3.080 -12.216 1.00 0.00 C ATOM 0 H PHE A 6 14.863 -3.533 -8.832 1.00 0.00 H new ATOM 0 HA PHE A 6 14.145 -5.942 -10.405 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.233 -3.206 -11.117 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.112 -4.527 -12.261 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.797 -5.609 -12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.310 -1.816 -10.652 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.437 -5.039 -13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.943 -1.247 -11.151 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.535 -2.809 -12.483 1.00 0.00 H new ATOM 115 N VAL A 7 16.362 -7.050 -10.407 1.00 0.00 N ATOM 116 CA VAL A 7 17.620 -7.815 -10.227 1.00 0.00 C ATOM 117 C VAL A 7 18.054 -8.557 -11.491 1.00 0.00 C ATOM 118 O VAL A 7 17.225 -9.088 -12.222 1.00 0.00 O ATOM 119 CB VAL A 7 17.584 -8.758 -8.999 1.00 0.00 C ATOM 120 CG1 VAL A 7 17.041 -8.019 -7.776 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.723 -10.014 -9.152 1.00 0.00 C ATOM 0 H VAL A 7 15.592 -7.620 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 7 18.383 -7.063 -10.025 1.00 0.00 H new ATOM 0 HB VAL A 7 18.622 -9.073 -8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.022 -8.695 -6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.683 -7.167 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.030 -7.667 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.770 -10.601 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.690 -9.726 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.095 -10.611 -9.985 1.00 0.00 H new ATOM 131 N CYS A 8 19.359 -8.602 -11.771 1.00 0.00 N ATOM 132 CA CYS A 8 19.907 -9.293 -12.950 1.00 0.00 C ATOM 133 C CYS A 8 21.368 -9.765 -12.731 1.00 0.00 C ATOM 134 O CYS A 8 21.913 -9.643 -11.632 1.00 0.00 O ATOM 135 CB CYS A 8 19.748 -8.329 -14.140 1.00 0.00 C ATOM 136 SG CYS A 8 19.832 -9.237 -15.710 1.00 0.00 S ATOM 0 H CYS A 8 20.070 -8.161 -11.188 1.00 0.00 H new ATOM 0 HA CYS A 8 19.362 -10.216 -13.147 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.795 -7.805 -14.067 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.531 -7.571 -14.109 1.00 0.00 H new ATOM 0 HG CYS A 8 18.710 -9.863 -15.910 1.00 0.00 H new ATOM 142 N LYS A 9 22.000 -10.305 -13.783 1.00 0.00 N ATOM 143 CA LYS A 9 23.395 -10.808 -13.800 1.00 0.00 C ATOM 144 C LYS A 9 24.433 -9.670 -13.756 1.00 0.00 C ATOM 145 O LYS A 9 24.124 -8.517 -14.034 1.00 0.00 O ATOM 146 CB LYS A 9 23.584 -11.725 -15.033 1.00 0.00 C ATOM 147 CG LYS A 9 22.754 -13.016 -14.908 1.00 0.00 C ATOM 148 CD LYS A 9 22.796 -13.905 -16.166 1.00 0.00 C ATOM 149 CE LYS A 9 24.183 -14.477 -16.521 1.00 0.00 C ATOM 150 NZ LYS A 9 24.635 -15.541 -15.574 1.00 0.00 N ATOM 0 H LYS A 9 21.540 -10.411 -14.687 1.00 0.00 H new ATOM 0 HA LYS A 9 23.569 -11.389 -12.894 1.00 0.00 H new ATOM 0 HB2 LYS A 9 23.291 -11.188 -15.935 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.639 -11.978 -15.141 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.118 -13.590 -14.056 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.718 -12.752 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.103 -14.735 -16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.433 -13.324 -17.014 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.154 -14.886 -17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.913 -13.668 -16.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.572 -15.887 -15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.692 -15.149 -14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.956 -16.329 -15.587 1.00 0.00 H new ATOM 164 N ARG A 10 25.691 -10.018 -13.457 1.00 0.00 N ATOM 165 CA ARG A 10 26.800 -9.082 -13.146 1.00 0.00 C ATOM 166 C ARG A 10 27.049 -7.991 -14.198 1.00 0.00 C ATOM 167 O ARG A 10 27.166 -6.815 -13.864 1.00 0.00 O ATOM 168 CB ARG A 10 28.060 -9.933 -12.867 1.00 0.00 C ATOM 169 CG ARG A 10 29.110 -9.244 -11.981 1.00 0.00 C ATOM 170 CD ARG A 10 29.981 -8.162 -12.634 1.00 0.00 C ATOM 171 NE ARG A 10 30.684 -8.664 -13.836 1.00 0.00 N ATOM 172 CZ ARG A 10 31.236 -7.943 -14.796 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.193 -6.640 -14.798 1.00 0.00 N ATOM 174 NH2 ARG A 10 31.842 -8.523 -15.790 1.00 0.00 N ATOM 0 H ARG A 10 25.984 -10.994 -13.421 1.00 0.00 H new ATOM 0 HA ARG A 10 26.517 -8.503 -12.267 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.756 -10.865 -12.390 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.522 -10.198 -13.818 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.593 -8.795 -11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.771 -10.013 -11.581 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.357 -7.311 -12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.712 -7.801 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 10 30.750 -9.677 -13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 10 30.722 -6.144 -14.041 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.631 -6.116 -15.556 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.893 -9.541 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.266 -7.960 -16.527 1.00 0.00 H new ATOM 188 N ASN A 11 27.105 -8.380 -15.474 1.00 0.00 N ATOM 189 CA ASN A 11 27.463 -7.489 -16.593 1.00 0.00 C ATOM 190 C ASN A 11 26.240 -6.814 -17.266 1.00 0.00 C ATOM 191 O ASN A 11 26.379 -6.149 -18.292 1.00 0.00 O ATOM 192 CB ASN A 11 28.339 -8.306 -17.567 1.00 0.00 C ATOM 193 CG ASN A 11 29.191 -7.459 -18.502 1.00 0.00 C ATOM 194 OD1 ASN A 11 29.449 -6.282 -18.277 1.00 0.00 O ATOM 195 ND2 ASN A 11 29.695 -8.040 -19.566 1.00 0.00 N ATOM 0 H ASN A 11 26.901 -9.335 -15.769 1.00 0.00 H new ATOM 0 HA ASN A 11 28.030 -6.636 -16.219 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.993 -8.959 -16.989 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.694 -8.950 -18.165 1.00 0.00 H new ATOM 0 HD21 ASN A 11 30.297 -7.512 -20.198 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.485 -9.019 -19.760 1.00 0.00 H new ATOM 202 N SER A 12 25.035 -7.000 -16.712 1.00 0.00 N ATOM 203 CA SER A 12 23.758 -6.538 -17.286 1.00 0.00 C ATOM 204 C SER A 12 23.413 -5.090 -16.913 1.00 0.00 C ATOM 205 O SER A 12 23.776 -4.616 -15.835 1.00 0.00 O ATOM 206 CB SER A 12 22.648 -7.481 -16.823 1.00 0.00 C ATOM 207 OG SER A 12 22.839 -8.750 -17.426 1.00 0.00 O ATOM 0 H SER A 12 24.915 -7.490 -15.826 1.00 0.00 H new ATOM 0 HA SER A 12 23.857 -6.553 -18.371 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.662 -7.574 -15.737 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.673 -7.077 -17.096 1.00 0.00 H new ATOM 0 HG SER A 12 22.292 -9.418 -16.962 1.00 0.00 H new ATOM 213 N CYS A 13 22.660 -4.400 -17.783 1.00 0.00 N ATOM 214 CA CYS A 13 22.053 -3.089 -17.503 1.00 0.00 C ATOM 215 C CYS A 13 20.515 -3.128 -17.411 1.00 0.00 C ATOM 216 O CYS A 13 19.910 -2.180 -16.916 1.00 0.00 O ATOM 217 CB CYS A 13 22.583 -2.044 -18.503 1.00 0.00 C ATOM 218 SG CYS A 13 21.823 -2.206 -20.150 1.00 0.00 S ATOM 0 H CYS A 13 22.452 -4.745 -18.720 1.00 0.00 H new ATOM 0 HA CYS A 13 22.362 -2.784 -16.503 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.391 -1.044 -18.114 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.664 -2.148 -18.594 1.00 0.00 H new ATOM 0 HG CYS A 13 21.945 -3.432 -20.566 1.00 0.00 H new ATOM 224 N ARG A 14 19.847 -4.221 -17.813 1.00 0.00 N ATOM 225 CA ARG A 14 18.376 -4.349 -17.853 1.00 0.00 C ATOM 226 C ARG A 14 17.693 -4.221 -16.490 1.00 0.00 C ATOM 227 O ARG A 14 16.553 -3.791 -16.452 1.00 0.00 O ATOM 228 CB ARG A 14 17.996 -5.632 -18.630 1.00 0.00 C ATOM 229 CG ARG A 14 18.272 -6.930 -17.857 1.00 0.00 C ATOM 230 CD ARG A 14 18.238 -8.179 -18.753 1.00 0.00 C ATOM 231 NE ARG A 14 19.596 -8.734 -18.910 1.00 0.00 N ATOM 232 CZ ARG A 14 19.925 -10.000 -19.113 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.050 -10.911 -19.419 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.165 -10.376 -19.018 1.00 0.00 N ATOM 0 H ARG A 14 20.326 -5.065 -18.128 1.00 0.00 H new ATOM 0 HA ARG A 14 17.980 -3.490 -18.395 1.00 0.00 H new ATOM 0 HB2 ARG A 14 16.937 -5.591 -18.885 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.550 -5.654 -19.569 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.248 -6.860 -17.377 1.00 0.00 H new ATOM 0 HG3 ARG A 14 17.533 -7.038 -17.063 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.579 -8.930 -18.317 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.827 -7.923 -19.730 1.00 0.00 H new ATOM 0 HE ARG A 14 20.367 -8.068 -18.856 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.065 -10.662 -19.511 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.348 -11.875 -19.567 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.888 -9.695 -18.786 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.415 -11.352 -19.175 1.00 0.00 H new ATOM 248 N SER A 15 18.372 -4.491 -15.372 1.00 0.00 N ATOM 249 CA SER A 15 17.868 -4.185 -14.014 1.00 0.00 C ATOM 250 C SER A 15 17.764 -2.671 -13.788 1.00 0.00 C ATOM 251 O SER A 15 16.715 -2.164 -13.394 1.00 0.00 O ATOM 252 CB SER A 15 18.806 -4.802 -12.967 1.00 0.00 C ATOM 253 OG SER A 15 20.142 -4.492 -13.323 1.00 0.00 O ATOM 0 H SER A 15 19.293 -4.930 -15.374 1.00 0.00 H new ATOM 0 HA SER A 15 16.870 -4.612 -13.915 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.577 -4.410 -11.976 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.666 -5.882 -12.923 1.00 0.00 H new ATOM 0 HG SER A 15 20.755 -4.878 -12.662 1.00 0.00 H new ATOM 259 N GLN A 16 18.824 -1.936 -14.131 1.00 0.00 N ATOM 260 CA GLN A 16 18.894 -0.466 -14.076 1.00 0.00 C ATOM 261 C GLN A 16 17.913 0.186 -15.058 1.00 0.00 C ATOM 262 O GLN A 16 17.258 1.173 -14.724 1.00 0.00 O ATOM 263 CB GLN A 16 20.343 -0.025 -14.366 1.00 0.00 C ATOM 264 CG GLN A 16 21.366 -0.566 -13.348 1.00 0.00 C ATOM 265 CD GLN A 16 21.244 0.068 -11.967 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.726 1.163 -11.810 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.761 -0.566 -10.940 1.00 0.00 N ATOM 0 H GLN A 16 19.690 -2.358 -14.467 1.00 0.00 H new ATOM 0 HA GLN A 16 18.603 -0.135 -13.079 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.624 -0.361 -15.364 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.389 1.064 -14.371 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.239 -1.645 -13.256 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.372 -0.394 -13.730 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.194 -1.480 -11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.730 -0.144 -10.012 1.00 0.00 H new ATOM 276 N MET A 17 17.768 -0.396 -16.255 1.00 0.00 N ATOM 277 CA MET A 17 16.817 0.034 -17.291 1.00 0.00 C ATOM 278 C MET A 17 15.359 -0.247 -16.888 1.00 0.00 C ATOM 279 O MET A 17 14.499 0.618 -17.041 1.00 0.00 O ATOM 280 CB MET A 17 17.207 -0.631 -18.632 1.00 0.00 C ATOM 281 CG MET A 17 17.296 0.348 -19.805 1.00 0.00 C ATOM 282 SD MET A 17 15.728 1.058 -20.359 1.00 0.00 S ATOM 283 CE MET A 17 15.659 2.636 -19.462 1.00 0.00 C ATOM 0 H MET A 17 18.324 -1.202 -16.539 1.00 0.00 H new ATOM 0 HA MET A 17 16.875 1.116 -17.410 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.169 -1.129 -18.513 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.475 -1.403 -18.870 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.963 1.163 -19.524 1.00 0.00 H new ATOM 0 HG3 MET A 17 17.758 -0.166 -20.648 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.135 3.376 -20.067 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.129 2.496 -18.520 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.672 2.984 -19.260 1.00 0.00 H new ATOM 293 N ALA A 18 15.089 -1.405 -16.273 1.00 0.00 N ATOM 294 CA ALA A 18 13.781 -1.707 -15.668 1.00 0.00 C ATOM 295 C ALA A 18 13.403 -0.709 -14.556 1.00 0.00 C ATOM 296 O ALA A 18 12.286 -0.192 -14.562 1.00 0.00 O ATOM 297 CB ALA A 18 13.770 -3.158 -15.186 1.00 0.00 C ATOM 0 H ALA A 18 15.769 -2.160 -16.180 1.00 0.00 H new ATOM 0 HA ALA A 18 13.009 -1.590 -16.428 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.803 -3.385 -14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.943 -3.824 -16.032 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.556 -3.301 -14.445 1.00 0.00 H new ATOM 303 N GLU A 19 14.342 -0.337 -13.673 1.00 0.00 N ATOM 304 CA GLU A 19 14.131 0.770 -12.722 1.00 0.00 C ATOM 305 C GLU A 19 13.826 2.092 -13.444 1.00 0.00 C ATOM 306 O GLU A 19 12.921 2.796 -13.013 1.00 0.00 O ATOM 307 CB GLU A 19 15.327 0.921 -11.763 1.00 0.00 C ATOM 308 CG GLU A 19 15.250 2.216 -10.930 1.00 0.00 C ATOM 309 CD GLU A 19 16.343 2.348 -9.851 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.196 1.442 -9.708 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.340 3.375 -9.129 1.00 0.00 O ATOM 0 H GLU A 19 15.255 -0.785 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 19 13.255 0.518 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.363 0.062 -11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.253 0.916 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.317 3.071 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.274 2.265 -10.448 1.00 0.00 H new ATOM 318 N GLY A 20 14.508 2.411 -14.548 1.00 0.00 N ATOM 319 CA GLY A 20 14.258 3.626 -15.336 1.00 0.00 C ATOM 320 C GLY A 20 12.807 3.756 -15.801 1.00 0.00 C ATOM 321 O GLY A 20 12.151 4.755 -15.508 1.00 0.00 O ATOM 0 H GLY A 20 15.256 1.829 -14.925 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.521 4.499 -14.738 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.913 3.627 -16.207 1.00 0.00 H new ATOM 325 N PHE A 21 12.250 2.732 -16.459 1.00 0.00 N ATOM 326 CA PHE A 21 10.826 2.750 -16.844 1.00 0.00 C ATOM 327 C PHE A 21 9.905 2.740 -15.619 1.00 0.00 C ATOM 328 O PHE A 21 8.939 3.501 -15.572 1.00 0.00 O ATOM 329 CB PHE A 21 10.513 1.596 -17.816 1.00 0.00 C ATOM 330 CG PHE A 21 10.866 1.914 -19.250 1.00 0.00 C ATOM 331 CD1 PHE A 21 9.973 2.666 -20.034 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.080 1.475 -19.803 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.295 2.987 -21.364 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.395 1.789 -21.135 1.00 0.00 C ATOM 335 CZ PHE A 21 11.508 2.548 -21.915 1.00 0.00 C ATOM 0 H PHE A 21 12.753 1.889 -16.735 1.00 0.00 H new ATOM 0 HA PHE A 21 10.629 3.686 -17.367 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.060 0.707 -17.502 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.452 1.355 -17.755 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.036 2.998 -19.612 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.770 0.897 -19.205 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.610 3.571 -21.961 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.325 1.445 -21.562 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.759 2.793 -22.936 1.00 0.00 H new ATOM 345 N ALA A 22 10.213 1.954 -14.587 1.00 0.00 N ATOM 346 CA ALA A 22 9.376 1.853 -13.386 1.00 0.00 C ATOM 347 C ALA A 22 9.328 3.143 -12.554 1.00 0.00 C ATOM 348 O ALA A 22 8.251 3.524 -12.111 1.00 0.00 O ATOM 349 CB ALA A 22 9.874 0.660 -12.575 1.00 0.00 C ATOM 0 H ALA A 22 11.048 1.369 -14.558 1.00 0.00 H new ATOM 0 HA ALA A 22 8.341 1.701 -13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.271 0.556 -11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.790 -0.247 -13.173 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.917 0.818 -12.299 1.00 0.00 H new ATOM 355 N LYS A 23 10.440 3.870 -12.400 1.00 0.00 N ATOM 356 CA LYS A 23 10.463 5.160 -11.681 1.00 0.00 C ATOM 357 C LYS A 23 9.807 6.300 -12.472 1.00 0.00 C ATOM 358 O LYS A 23 9.391 7.285 -11.873 1.00 0.00 O ATOM 359 CB LYS A 23 11.898 5.497 -11.219 1.00 0.00 C ATOM 360 CG LYS A 23 12.771 6.140 -12.302 1.00 0.00 C ATOM 361 CD LYS A 23 14.198 6.371 -11.795 1.00 0.00 C ATOM 362 CE LYS A 23 14.926 7.310 -12.760 1.00 0.00 C ATOM 363 NZ LYS A 23 16.383 7.349 -12.471 1.00 0.00 N ATOM 0 H LYS A 23 11.349 3.587 -12.767 1.00 0.00 H new ATOM 0 HA LYS A 23 9.846 5.049 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.844 6.171 -10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.381 4.583 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.794 5.499 -13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.333 7.089 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.176 6.803 -10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.729 5.422 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.764 6.979 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.509 8.314 -12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.847 8.019 -13.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.534 7.655 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.789 6.401 -12.605 1.00 0.00 H new ATOM 377 N THR A 24 9.693 6.156 -13.799 1.00 0.00 N ATOM 378 CA THR A 24 9.052 7.146 -14.691 1.00 0.00 C ATOM 379 C THR A 24 7.541 6.915 -14.822 1.00 0.00 C ATOM 380 O THR A 24 6.766 7.863 -14.721 1.00 0.00 O ATOM 381 CB THR A 24 9.715 7.151 -16.081 1.00 0.00 C ATOM 382 OG1 THR A 24 11.119 7.280 -15.970 1.00 0.00 O ATOM 383 CG2 THR A 24 9.259 8.334 -16.936 1.00 0.00 C ATOM 0 H THR A 24 10.047 5.338 -14.296 1.00 0.00 H new ATOM 0 HA THR A 24 9.197 8.123 -14.231 1.00 0.00 H new ATOM 0 HB THR A 24 9.426 6.207 -16.543 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.516 6.400 -15.804 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.754 8.294 -17.906 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.179 8.286 -17.077 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.518 9.267 -16.435 1.00 0.00 H new ATOM 391 N LEU A 25 7.104 5.659 -15.012 1.00 0.00 N ATOM 392 CA LEU A 25 5.691 5.299 -15.267 1.00 0.00 C ATOM 393 C LEU A 25 4.946 4.877 -13.995 1.00 0.00 C ATOM 394 O LEU A 25 3.787 5.232 -13.789 1.00 0.00 O ATOM 395 CB LEU A 25 5.630 4.181 -16.327 1.00 0.00 C ATOM 396 CG LEU A 25 6.365 4.495 -17.639 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.221 3.319 -18.603 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.835 5.746 -18.339 1.00 0.00 C ATOM 0 H LEU A 25 7.727 4.852 -14.993 1.00 0.00 H new ATOM 0 HA LEU A 25 5.186 6.191 -15.637 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.052 3.271 -15.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.585 3.972 -16.554 1.00 0.00 H new ATOM 0 HG LEU A 25 7.407 4.672 -17.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.743 3.545 -19.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.652 2.425 -18.153 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.165 3.147 -18.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.395 5.913 -19.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.780 5.611 -18.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.951 6.608 -17.682 1.00 0.00 H new ATOM 410 N GLY A 26 5.646 4.161 -13.111 1.00 0.00 N ATOM 411 CA GLY A 26 5.215 3.825 -11.751 1.00 0.00 C ATOM 412 C GLY A 26 5.475 4.929 -10.726 1.00 0.00 C ATOM 413 O GLY A 26 5.260 4.690 -9.541 1.00 0.00 O ATOM 0 H GLY A 26 6.567 3.784 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.149 3.599 -11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.729 2.918 -11.432 1.00 0.00 H new ATOM 417 N ALA A 27 5.921 6.120 -11.159 1.00 0.00 N ATOM 418 CA ALA A 27 6.344 7.242 -10.296 1.00 0.00 C ATOM 419 C ALA A 27 5.432 7.526 -9.082 1.00 0.00 C ATOM 420 O ALA A 27 5.918 7.749 -7.971 1.00 0.00 O ATOM 421 CB ALA A 27 6.428 8.505 -11.170 1.00 0.00 C ATOM 0 H ALA A 27 6.001 6.338 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 27 7.304 6.955 -9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.739 9.351 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.154 8.348 -11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.450 8.712 -11.605 1.00 0.00 H new ATOM 427 N GLY A 28 4.111 7.502 -9.295 1.00 0.00 N ATOM 428 CA GLY A 28 3.075 7.729 -8.275 1.00 0.00 C ATOM 429 C GLY A 28 2.356 6.459 -7.799 1.00 0.00 C ATOM 430 O GLY A 28 1.266 6.563 -7.234 1.00 0.00 O ATOM 0 H GLY A 28 3.717 7.317 -10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.533 8.216 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.334 8.421 -8.676 1.00 0.00 H new ATOM 434 N LYS A 29 2.916 5.265 -8.067 1.00 0.00 N ATOM 435 CA LYS A 29 2.259 3.960 -7.874 1.00 0.00 C ATOM 436 C LYS A 29 3.027 3.057 -6.916 1.00 0.00 C ATOM 437 O LYS A 29 2.414 2.250 -6.226 1.00 0.00 O ATOM 438 CB LYS A 29 2.116 3.252 -9.238 1.00 0.00 C ATOM 439 CG LYS A 29 1.411 4.053 -10.348 1.00 0.00 C ATOM 440 CD LYS A 29 -0.053 4.385 -10.024 1.00 0.00 C ATOM 441 CE LYS A 29 -0.684 5.123 -11.214 1.00 0.00 C ATOM 442 NZ LYS A 29 -2.113 5.462 -10.959 1.00 0.00 N ATOM 0 H LYS A 29 3.864 5.180 -8.434 1.00 0.00 H new ATOM 0 HA LYS A 29 1.280 4.149 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.112 2.982 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.568 2.322 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.957 4.981 -10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.450 3.484 -11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.607 3.470 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.108 5.003 -9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.124 6.036 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.611 4.502 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.504 5.959 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.653 4.589 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.180 6.075 -10.122 1.00 0.00 H new ATOM 456 N ILE A 30 4.360 3.152 -6.932 1.00 0.00 N ATOM 457 CA ILE A 30 5.290 2.285 -6.195 1.00 0.00 C ATOM 458 C ILE A 30 6.625 2.974 -5.863 1.00 0.00 C ATOM 459 O ILE A 30 6.955 4.025 -6.410 1.00 0.00 O ATOM 460 CB ILE A 30 5.569 0.990 -7.007 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.874 1.115 -8.519 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.417 -0.017 -6.857 1.00 0.00 C ATOM 463 CD1 ILE A 30 7.187 1.829 -8.868 1.00 0.00 C ATOM 0 H ILE A 30 4.842 3.864 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 30 4.805 2.046 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 30 6.503 0.659 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.898 0.115 -8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.052 1.649 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.640 -0.913 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.301 -0.283 -5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.493 0.431 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.306 1.863 -9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.165 2.845 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.024 1.287 -8.428 1.00 0.00 H new ATOM 475 N ALA A 31 7.396 2.361 -4.954 1.00 0.00 N ATOM 476 CA ALA A 31 8.799 2.719 -4.697 1.00 0.00 C ATOM 477 C ALA A 31 9.683 1.767 -5.525 1.00 0.00 C ATOM 478 O ALA A 31 9.255 0.650 -5.820 1.00 0.00 O ATOM 479 CB ALA A 31 9.093 2.655 -3.188 1.00 0.00 C ATOM 0 H ALA A 31 7.060 1.595 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 31 9.014 3.743 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.135 2.922 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.443 3.354 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.910 1.644 -2.824 1.00 0.00 H new ATOM 485 N VAL A 32 10.905 2.144 -5.912 1.00 0.00 N ATOM 486 CA VAL A 32 11.754 1.278 -6.761 1.00 0.00 C ATOM 487 C VAL A 32 13.263 1.468 -6.560 1.00 0.00 C ATOM 488 O VAL A 32 13.744 2.589 -6.382 1.00 0.00 O ATOM 489 CB VAL A 32 11.358 1.429 -8.242 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.498 2.856 -8.777 1.00 0.00 C ATOM 491 CG2 VAL A 32 12.129 0.490 -9.173 1.00 0.00 C ATOM 0 H VAL A 32 11.333 3.034 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 32 11.560 0.256 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 32 10.303 1.155 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.201 2.882 -9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.858 3.525 -8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.535 3.179 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.802 0.648 -10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.196 0.697 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.938 -0.544 -8.886 1.00 0.00 H new ATOM 501 N THR A 33 13.992 0.350 -6.651 1.00 0.00 N ATOM 502 CA THR A 33 15.465 0.265 -6.711 1.00 0.00 C ATOM 503 C THR A 33 15.860 -0.867 -7.670 1.00 0.00 C ATOM 504 O THR A 33 15.025 -1.685 -8.068 1.00 0.00 O ATOM 505 CB THR A 33 16.077 0.025 -5.309 1.00 0.00 C ATOM 506 OG1 THR A 33 15.478 0.875 -4.348 1.00 0.00 O ATOM 507 CG2 THR A 33 17.582 0.303 -5.224 1.00 0.00 C ATOM 0 H THR A 33 13.553 -0.570 -6.687 1.00 0.00 H new ATOM 0 HA THR A 33 15.857 1.214 -7.076 1.00 0.00 H new ATOM 0 HB THR A 33 15.892 -1.032 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.877 0.707 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.931 0.111 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 33 18.112 -0.348 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.775 1.344 -5.483 1.00 0.00 H new ATOM 515 N SER A 34 17.131 -0.951 -8.049 1.00 0.00 N ATOM 516 CA SER A 34 17.691 -2.068 -8.806 1.00 0.00 C ATOM 517 C SER A 34 19.093 -2.445 -8.326 1.00 0.00 C ATOM 518 O SER A 34 19.813 -1.633 -7.737 1.00 0.00 O ATOM 519 CB SER A 34 17.676 -1.781 -10.309 1.00 0.00 C ATOM 520 OG SER A 34 18.433 -0.641 -10.632 1.00 0.00 O ATOM 0 H SER A 34 17.817 -0.228 -7.834 1.00 0.00 H new ATOM 0 HA SER A 34 17.051 -2.931 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.070 -2.643 -10.847 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.648 -1.640 -10.642 1.00 0.00 H new ATOM 0 HG SER A 34 18.143 0.113 -10.077 1.00 0.00 H new ATOM 526 N CYS A 35 19.459 -3.712 -8.535 1.00 0.00 N ATOM 527 CA CYS A 35 20.736 -4.284 -8.118 1.00 0.00 C ATOM 528 C CYS A 35 21.110 -5.473 -9.029 1.00 0.00 C ATOM 529 O CYS A 35 20.405 -5.775 -9.996 1.00 0.00 O ATOM 530 CB CYS A 35 20.647 -4.635 -6.613 1.00 0.00 C ATOM 531 SG CYS A 35 19.725 -6.164 -6.310 1.00 0.00 S ATOM 0 H CYS A 35 18.858 -4.384 -9.012 1.00 0.00 H new ATOM 0 HA CYS A 35 21.551 -3.569 -8.232 1.00 0.00 H new ATOM 0 HB2 CYS A 35 21.653 -4.735 -6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 35 20.168 -3.814 -6.080 1.00 0.00 H new ATOM 0 HG CYS A 35 18.484 -5.878 -6.051 1.00 0.00 H new ATOM 537 N GLY A 36 22.203 -6.178 -8.733 1.00 0.00 N ATOM 538 CA GLY A 36 22.544 -7.440 -9.408 1.00 0.00 C ATOM 539 C GLY A 36 23.175 -8.466 -8.476 1.00 0.00 C ATOM 540 O GLY A 36 23.589 -8.134 -7.366 1.00 0.00 O ATOM 0 H GLY A 36 22.877 -5.895 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.642 -7.865 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.231 -7.232 -10.228 1.00 0.00 H new ATOM 544 N LEU A 37 23.265 -9.725 -8.919 1.00 0.00 N ATOM 545 CA LEU A 37 23.679 -10.850 -8.057 1.00 0.00 C ATOM 546 C LEU A 37 25.104 -10.661 -7.503 1.00 0.00 C ATOM 547 O LEU A 37 25.361 -10.910 -6.327 1.00 0.00 O ATOM 548 CB LEU A 37 23.534 -12.188 -8.811 1.00 0.00 C ATOM 549 CG LEU A 37 22.129 -12.521 -9.354 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.133 -13.938 -9.924 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.027 -12.425 -8.299 1.00 0.00 C ATOM 0 H LEU A 37 23.055 -9.997 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 37 23.013 -10.871 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.232 -12.186 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.841 -12.992 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 37 21.909 -11.778 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.142 -14.178 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.862 -14.003 -10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.398 -14.645 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.067 -12.672 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.237 -13.124 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.990 -11.410 -7.902 1.00 0.00 H new ATOM 563 N GLU A 38 25.994 -10.122 -8.338 1.00 0.00 N ATOM 564 CA GLU A 38 27.343 -9.644 -7.981 1.00 0.00 C ATOM 565 C GLU A 38 27.470 -8.150 -8.365 1.00 0.00 C ATOM 566 O GLU A 38 28.493 -7.692 -8.870 1.00 0.00 O ATOM 567 CB GLU A 38 28.413 -10.560 -8.607 1.00 0.00 C ATOM 568 CG GLU A 38 28.392 -11.971 -8.007 1.00 0.00 C ATOM 569 CD GLU A 38 29.535 -12.827 -8.588 1.00 0.00 C ATOM 570 OE1 GLU A 38 30.665 -12.796 -8.039 1.00 0.00 O ATOM 571 OE2 GLU A 38 29.315 -13.545 -9.595 1.00 0.00 O ATOM 0 H GLU A 38 25.790 -9.998 -9.330 1.00 0.00 H new ATOM 0 HA GLU A 38 27.509 -9.700 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.251 -10.622 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.398 -10.119 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.490 -11.912 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.433 -12.446 -8.215 1.00 0.00 H new ATOM 578 N SER A 39 26.392 -7.394 -8.109 1.00 0.00 N ATOM 579 CA SER A 39 26.134 -6.012 -8.555 1.00 0.00 C ATOM 580 C SER A 39 25.773 -5.900 -10.051 1.00 0.00 C ATOM 581 O SER A 39 25.670 -6.905 -10.750 1.00 0.00 O ATOM 582 CB SER A 39 27.257 -5.069 -8.119 1.00 0.00 C ATOM 583 OG SER A 39 26.708 -3.773 -8.012 1.00 0.00 O ATOM 0 H SER A 39 25.622 -7.755 -7.546 1.00 0.00 H new ATOM 0 HA SER A 39 25.231 -5.680 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.676 -5.388 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.071 -5.082 -8.844 1.00 0.00 H new ATOM 0 HG SER A 39 27.406 -3.144 -7.732 1.00 0.00 H new ATOM 589 N SER A 40 25.488 -4.682 -10.516 1.00 0.00 N ATOM 590 CA SER A 40 25.052 -4.323 -11.882 1.00 0.00 C ATOM 591 C SER A 40 25.629 -2.959 -12.303 1.00 0.00 C ATOM 592 O SER A 40 26.264 -2.283 -11.486 1.00 0.00 O ATOM 593 CB SER A 40 23.516 -4.319 -11.952 1.00 0.00 C ATOM 594 OG SER A 40 22.964 -3.294 -11.139 1.00 0.00 O ATOM 0 H SER A 40 25.558 -3.861 -9.915 1.00 0.00 H new ATOM 0 HA SER A 40 25.432 -5.068 -12.581 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.198 -4.178 -12.985 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.133 -5.287 -11.630 1.00 0.00 H new ATOM 0 HG SER A 40 23.293 -3.392 -10.221 1.00 0.00 H new ATOM 600 N ARG A 41 25.422 -2.523 -13.559 1.00 0.00 N ATOM 601 CA ARG A 41 25.901 -1.207 -14.036 1.00 0.00 C ATOM 602 C ARG A 41 24.933 -0.460 -14.953 1.00 0.00 C ATOM 603 O ARG A 41 24.075 -1.052 -15.602 1.00 0.00 O ATOM 604 CB ARG A 41 27.277 -1.357 -14.719 1.00 0.00 C ATOM 605 CG ARG A 41 27.260 -2.216 -15.998 1.00 0.00 C ATOM 606 CD ARG A 41 28.520 -1.946 -16.828 1.00 0.00 C ATOM 607 NE ARG A 41 28.735 -3.013 -17.826 1.00 0.00 N ATOM 608 CZ ARG A 41 28.319 -3.048 -19.081 1.00 0.00 C ATOM 609 NH1 ARG A 41 27.709 -2.071 -19.676 1.00 0.00 N ATOM 610 NH2 ARG A 41 28.513 -4.105 -19.797 1.00 0.00 N ATOM 0 H ARG A 41 24.924 -3.063 -14.267 1.00 0.00 H new ATOM 0 HA ARG A 41 25.982 -0.589 -13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 41 27.657 -0.366 -14.966 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.976 -1.798 -14.008 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.207 -3.273 -15.736 1.00 0.00 H new ATOM 0 HG3 ARG A 41 26.371 -1.989 -16.587 1.00 0.00 H new ATOM 0 HD2 ARG A 41 28.428 -0.984 -17.333 1.00 0.00 H new ATOM 0 HD3 ARG A 41 29.386 -1.879 -16.170 1.00 0.00 H new ATOM 0 HE ARG A 41 29.270 -3.822 -17.509 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.522 -1.204 -19.172 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.416 -2.169 -20.648 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.987 -4.913 -19.395 1.00 0.00 H new ATOM 0 HH22 ARG A 41 28.192 -4.131 -20.765 1.00 0.00 H new ATOM 624 N VAL A 42 25.124 0.857 -15.024 1.00 0.00 N ATOM 625 CA VAL A 42 24.481 1.743 -16.013 1.00 0.00 C ATOM 626 C VAL A 42 25.378 1.742 -17.267 1.00 0.00 C ATOM 627 O VAL A 42 26.571 1.436 -17.191 1.00 0.00 O ATOM 628 CB VAL A 42 24.250 3.163 -15.440 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.424 4.064 -16.365 1.00 0.00 C ATOM 630 CG2 VAL A 42 23.505 3.117 -14.097 1.00 0.00 C ATOM 0 H VAL A 42 25.743 1.356 -14.384 1.00 0.00 H new ATOM 0 HA VAL A 42 23.486 1.381 -16.273 1.00 0.00 H new ATOM 0 HB VAL A 42 25.253 3.575 -15.326 1.00 0.00 H new ATOM 0 HG11 VAL A 42 23.300 5.043 -15.903 1.00 0.00 H new ATOM 0 HG12 VAL A 42 23.939 4.175 -17.319 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.445 3.615 -16.531 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.361 4.132 -13.726 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.535 2.640 -14.235 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.090 2.546 -13.376 1.00 0.00 H new ATOM 640 N HIS A 43 24.811 2.051 -18.431 1.00 0.00 N ATOM 641 CA HIS A 43 25.496 1.994 -19.733 1.00 0.00 C ATOM 642 C HIS A 43 25.201 3.245 -20.577 1.00 0.00 C ATOM 643 O HIS A 43 24.020 3.556 -20.735 1.00 0.00 O ATOM 644 CB HIS A 43 25.050 0.710 -20.455 1.00 0.00 C ATOM 645 CG HIS A 43 25.797 0.480 -21.739 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.178 0.329 -21.833 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.256 0.467 -22.991 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.447 0.207 -23.143 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.312 0.289 -23.863 1.00 0.00 N ATOM 0 H HIS A 43 23.840 2.356 -18.503 1.00 0.00 H new ATOM 0 HA HIS A 43 26.575 1.973 -19.581 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.199 -0.144 -19.794 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.982 0.768 -20.666 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.213 0.574 -23.248 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.433 0.064 -23.560 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.244 0.230 -24.879 1.00 0.00 H new ATOM 657 N PRO A 44 26.192 3.943 -21.174 1.00 0.00 N ATOM 658 CA PRO A 44 25.962 5.196 -21.912 1.00 0.00 C ATOM 659 C PRO A 44 24.929 5.095 -23.041 1.00 0.00 C ATOM 660 O PRO A 44 24.066 5.963 -23.165 1.00 0.00 O ATOM 661 CB PRO A 44 27.338 5.621 -22.439 1.00 0.00 C ATOM 662 CG PRO A 44 28.287 5.062 -21.384 1.00 0.00 C ATOM 663 CD PRO A 44 27.630 3.731 -21.021 1.00 0.00 C ATOM 0 HA PRO A 44 25.523 5.936 -21.243 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.540 5.205 -23.426 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.422 6.704 -22.526 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.294 4.924 -21.777 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.369 5.723 -20.521 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.979 2.931 -21.674 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.876 3.439 -20.000 1.00 0.00 H new ATOM 671 N THR A 45 24.914 3.996 -23.799 1.00 0.00 N ATOM 672 CA THR A 45 23.903 3.782 -24.858 1.00 0.00 C ATOM 673 C THR A 45 22.501 3.586 -24.274 1.00 0.00 C ATOM 674 O THR A 45 21.529 4.049 -24.858 1.00 0.00 O ATOM 675 CB THR A 45 24.305 2.617 -25.787 1.00 0.00 C ATOM 676 OG1 THR A 45 25.640 2.813 -26.223 1.00 0.00 O ATOM 677 CG2 THR A 45 23.426 2.503 -27.032 1.00 0.00 C ATOM 0 H THR A 45 25.587 3.236 -23.705 1.00 0.00 H new ATOM 0 HA THR A 45 23.868 4.687 -25.465 1.00 0.00 H new ATOM 0 HB THR A 45 24.187 1.702 -25.206 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.903 2.076 -26.812 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.764 1.664 -27.640 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.391 2.340 -26.733 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.496 3.423 -27.612 1.00 0.00 H new ATOM 685 N ALA A 46 22.372 3.025 -23.066 1.00 0.00 N ATOM 686 CA ALA A 46 21.092 2.954 -22.352 1.00 0.00 C ATOM 687 C ALA A 46 20.657 4.298 -21.740 1.00 0.00 C ATOM 688 O ALA A 46 19.526 4.418 -21.287 1.00 0.00 O ATOM 689 CB ALA A 46 21.141 1.811 -21.330 1.00 0.00 C ATOM 0 H ALA A 46 23.151 2.608 -22.557 1.00 0.00 H new ATOM 0 HA ALA A 46 20.310 2.732 -23.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.191 1.757 -20.799 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.322 0.868 -21.847 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.945 1.994 -20.617 1.00 0.00 H new ATOM 695 N ILE A 47 21.521 5.317 -21.717 1.00 0.00 N ATOM 696 CA ILE A 47 21.104 6.687 -21.383 1.00 0.00 C ATOM 697 C ILE A 47 20.487 7.285 -22.654 1.00 0.00 C ATOM 698 O ILE A 47 19.320 7.670 -22.667 1.00 0.00 O ATOM 699 CB ILE A 47 22.271 7.534 -20.821 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.894 6.846 -19.581 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.752 8.943 -20.480 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.142 7.543 -19.023 1.00 0.00 C ATOM 0 H ILE A 47 22.515 5.222 -21.926 1.00 0.00 H new ATOM 0 HA ILE A 47 20.367 6.681 -20.580 1.00 0.00 H new ATOM 0 HB ILE A 47 23.056 7.621 -21.572 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.141 6.793 -18.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.153 5.820 -19.843 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.569 9.546 -20.083 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.358 9.414 -21.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.961 8.869 -19.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.510 6.992 -18.157 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.916 7.572 -19.790 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.888 8.560 -18.725 1.00 0.00 H new ATOM 714 N ALA A 48 21.229 7.277 -23.767 1.00 0.00 N ATOM 715 CA ALA A 48 20.836 8.001 -24.981 1.00 0.00 C ATOM 716 C ALA A 48 19.685 7.339 -25.763 1.00 0.00 C ATOM 717 O ALA A 48 18.856 8.041 -26.338 1.00 0.00 O ATOM 718 CB ALA A 48 22.085 8.173 -25.854 1.00 0.00 C ATOM 0 H ALA A 48 22.112 6.773 -23.852 1.00 0.00 H new ATOM 0 HA ALA A 48 20.435 8.970 -24.683 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.821 8.709 -26.765 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.838 8.739 -25.305 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.486 7.193 -26.113 1.00 0.00 H new ATOM 724 N MET A 49 19.580 6.003 -25.745 1.00 0.00 N ATOM 725 CA MET A 49 18.464 5.276 -26.381 1.00 0.00 C ATOM 726 C MET A 49 17.140 5.393 -25.608 1.00 0.00 C ATOM 727 O MET A 49 16.101 4.975 -26.115 1.00 0.00 O ATOM 728 CB MET A 49 18.843 3.802 -26.591 1.00 0.00 C ATOM 729 CG MET A 49 20.004 3.605 -27.573 1.00 0.00 C ATOM 730 SD MET A 49 19.650 4.051 -29.295 1.00 0.00 S ATOM 731 CE MET A 49 20.469 5.670 -29.389 1.00 0.00 C ATOM 0 H MET A 49 20.262 5.395 -25.292 1.00 0.00 H new ATOM 0 HA MET A 49 18.292 5.750 -27.347 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.111 3.363 -25.630 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.971 3.259 -26.957 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.853 4.196 -27.229 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.311 2.559 -27.542 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.115 6.206 -30.270 1.00 0.00 H new ATOM 0 HE2 MET A 49 20.236 6.248 -28.495 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.548 5.529 -29.459 1.00 0.00 H new ATOM 741 N MET A 50 17.165 5.941 -24.386 1.00 0.00 N ATOM 742 CA MET A 50 16.027 5.954 -23.456 1.00 0.00 C ATOM 743 C MET A 50 15.623 7.380 -23.048 1.00 0.00 C ATOM 744 O MET A 50 14.440 7.645 -22.846 1.00 0.00 O ATOM 745 CB MET A 50 16.355 5.078 -22.234 1.00 0.00 C ATOM 746 CG MET A 50 17.013 3.736 -22.595 1.00 0.00 C ATOM 747 SD MET A 50 16.072 2.656 -23.683 1.00 0.00 S ATOM 748 CE MET A 50 17.287 1.321 -23.861 1.00 0.00 C ATOM 0 H MET A 50 17.995 6.398 -24.008 1.00 0.00 H new ATOM 0 HA MET A 50 15.160 5.536 -23.967 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.019 5.631 -21.569 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.437 4.885 -21.679 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.975 3.942 -23.065 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.219 3.196 -21.671 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.936 0.606 -24.605 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.242 1.738 -24.181 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.415 0.815 -22.904 1.00 0.00 H new ATOM 758 N GLU A 51 16.557 8.336 -23.037 1.00 0.00 N ATOM 759 CA GLU A 51 16.238 9.759 -22.853 1.00 0.00 C ATOM 760 C GLU A 51 15.388 10.339 -24.007 1.00 0.00 C ATOM 761 O GLU A 51 14.626 11.281 -23.795 1.00 0.00 O ATOM 762 CB GLU A 51 17.512 10.574 -22.560 1.00 0.00 C ATOM 763 CG GLU A 51 18.437 10.823 -23.759 1.00 0.00 C ATOM 764 CD GLU A 51 18.145 12.166 -24.465 1.00 0.00 C ATOM 765 OE1 GLU A 51 18.416 13.242 -23.874 1.00 0.00 O ATOM 766 OE2 GLU A 51 17.680 12.162 -25.628 1.00 0.00 O ATOM 0 H GLU A 51 17.553 8.148 -23.155 1.00 0.00 H new ATOM 0 HA GLU A 51 15.600 9.842 -21.973 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.216 11.538 -22.147 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.081 10.057 -21.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.474 10.812 -23.422 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.325 10.009 -24.475 1.00 0.00 H new ATOM 773 N GLU A 52 15.409 9.702 -25.186 1.00 0.00 N ATOM 774 CA GLU A 52 14.517 10.017 -26.321 1.00 0.00 C ATOM 775 C GLU A 52 13.064 9.523 -26.113 1.00 0.00 C ATOM 776 O GLU A 52 12.156 9.926 -26.842 1.00 0.00 O ATOM 777 CB GLU A 52 15.134 9.519 -27.645 1.00 0.00 C ATOM 778 CG GLU A 52 15.383 8.005 -27.706 1.00 0.00 C ATOM 779 CD GLU A 52 15.923 7.554 -29.079 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.913 8.116 -29.599 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.377 6.579 -29.648 1.00 0.00 O ATOM 0 H GLU A 52 16.056 8.939 -25.386 1.00 0.00 H new ATOM 0 HA GLU A 52 14.434 11.102 -26.378 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.474 9.798 -28.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.080 10.036 -27.807 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.094 7.725 -26.929 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.453 7.477 -27.493 1.00 0.00 H new ATOM 788 N VAL A 53 12.837 8.694 -25.082 1.00 0.00 N ATOM 789 CA VAL A 53 11.519 8.267 -24.559 1.00 0.00 C ATOM 790 C VAL A 53 11.176 9.039 -23.260 1.00 0.00 C ATOM 791 O VAL A 53 10.111 8.862 -22.669 1.00 0.00 O ATOM 792 CB VAL A 53 11.494 6.720 -24.408 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.195 6.123 -23.848 1.00 0.00 C ATOM 794 CG2 VAL A 53 11.712 6.054 -25.776 1.00 0.00 C ATOM 0 H VAL A 53 13.607 8.278 -24.558 1.00 0.00 H new ATOM 0 HA VAL A 53 10.728 8.520 -25.265 1.00 0.00 H new ATOM 0 HB VAL A 53 12.289 6.520 -23.689 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.290 5.039 -23.786 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.007 6.528 -22.854 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.364 6.377 -24.506 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.693 4.970 -25.660 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.920 6.360 -26.460 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.678 6.359 -26.179 1.00 0.00 H new ATOM 804 N GLY A 54 12.060 9.945 -22.819 1.00 0.00 N ATOM 805 CA GLY A 54 11.927 10.723 -21.579 1.00 0.00 C ATOM 806 C GLY A 54 12.364 9.977 -20.310 1.00 0.00 C ATOM 807 O GLY A 54 12.052 10.427 -19.207 1.00 0.00 O ATOM 0 H GLY A 54 12.914 10.164 -23.332 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.518 11.634 -21.671 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.887 11.028 -21.466 1.00 0.00 H new ATOM 811 N ILE A 55 13.069 8.845 -20.447 1.00 0.00 N ATOM 812 CA ILE A 55 13.529 8.009 -19.325 1.00 0.00 C ATOM 813 C ILE A 55 14.896 8.488 -18.806 1.00 0.00 C ATOM 814 O ILE A 55 15.711 9.024 -19.558 1.00 0.00 O ATOM 815 CB ILE A 55 13.565 6.512 -19.714 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.348 6.037 -20.539 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.706 5.618 -18.469 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.984 6.192 -19.847 1.00 0.00 C ATOM 0 H ILE A 55 13.342 8.476 -21.358 1.00 0.00 H new ATOM 0 HA ILE A 55 12.809 8.116 -18.513 1.00 0.00 H new ATOM 0 HB ILE A 55 14.441 6.415 -20.355 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.326 6.593 -21.477 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.490 4.987 -20.794 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.729 4.572 -18.773 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.631 5.864 -17.947 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.859 5.784 -17.804 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.197 5.830 -20.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.976 5.613 -18.924 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.810 7.243 -19.617 1.00 0.00 H new ATOM 830 N ASP A 56 15.167 8.244 -17.523 1.00 0.00 N ATOM 831 CA ASP A 56 16.446 8.539 -16.861 1.00 0.00 C ATOM 832 C ASP A 56 17.000 7.303 -16.133 1.00 0.00 C ATOM 833 O ASP A 56 16.254 6.614 -15.438 1.00 0.00 O ATOM 834 CB ASP A 56 16.246 9.705 -15.879 1.00 0.00 C ATOM 835 CG ASP A 56 17.507 9.950 -15.032 1.00 0.00 C ATOM 836 OD1 ASP A 56 18.400 10.705 -15.477 1.00 0.00 O ATOM 837 OD2 ASP A 56 17.615 9.343 -13.939 1.00 0.00 O ATOM 0 H ASP A 56 14.484 7.823 -16.894 1.00 0.00 H new ATOM 0 HA ASP A 56 17.178 8.820 -17.618 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.997 10.610 -16.433 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.402 9.490 -15.224 1.00 0.00 H new ATOM 842 N ILE A 57 18.309 7.054 -16.247 1.00 0.00 N ATOM 843 CA ILE A 57 19.042 6.051 -15.444 1.00 0.00 C ATOM 844 C ILE A 57 20.434 6.527 -14.986 1.00 0.00 C ATOM 845 O ILE A 57 21.069 5.858 -14.177 1.00 0.00 O ATOM 846 CB ILE A 57 19.146 4.691 -16.179 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.882 4.797 -17.534 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.760 4.050 -16.355 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.109 3.436 -18.206 1.00 0.00 C ATOM 0 H ILE A 57 18.906 7.549 -16.910 1.00 0.00 H new ATOM 0 HA ILE A 57 18.446 5.914 -14.541 1.00 0.00 H new ATOM 0 HB ILE A 57 19.750 4.042 -15.545 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.306 5.434 -18.204 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.845 5.284 -17.380 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.863 3.097 -16.874 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.309 3.884 -15.377 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.124 4.714 -16.940 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.630 3.580 -19.153 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.711 2.804 -17.553 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.148 2.956 -18.390 1.00 0.00 H new ATOM 861 N SER A 58 20.909 7.680 -15.467 1.00 0.00 N ATOM 862 CA SER A 58 22.288 8.175 -15.315 1.00 0.00 C ATOM 863 C SER A 58 22.771 8.313 -13.864 1.00 0.00 C ATOM 864 O SER A 58 23.943 8.069 -13.576 1.00 0.00 O ATOM 865 CB SER A 58 22.396 9.552 -15.986 1.00 0.00 C ATOM 866 OG SER A 58 21.727 9.544 -17.239 1.00 0.00 O ATOM 0 H SER A 58 20.321 8.324 -15.996 1.00 0.00 H new ATOM 0 HA SER A 58 22.925 7.424 -15.782 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.962 10.314 -15.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 23.445 9.814 -16.128 1.00 0.00 H new ATOM 0 HG SER A 58 21.802 10.428 -17.655 1.00 0.00 H new ATOM 872 N GLY A 59 21.868 8.691 -12.949 1.00 0.00 N ATOM 873 CA GLY A 59 22.167 8.899 -11.524 1.00 0.00 C ATOM 874 C GLY A 59 22.125 7.634 -10.653 1.00 0.00 C ATOM 875 O GLY A 59 22.387 7.719 -9.451 1.00 0.00 O ATOM 0 H GLY A 59 20.890 8.864 -13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.157 9.346 -11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.456 9.621 -11.122 1.00 0.00 H new ATOM 879 N GLN A 60 21.766 6.470 -11.213 1.00 0.00 N ATOM 880 CA GLN A 60 21.597 5.227 -10.446 1.00 0.00 C ATOM 881 C GLN A 60 22.926 4.526 -10.101 1.00 0.00 C ATOM 882 O GLN A 60 23.951 4.713 -10.762 1.00 0.00 O ATOM 883 CB GLN A 60 20.650 4.274 -11.185 1.00 0.00 C ATOM 884 CG GLN A 60 19.188 4.737 -11.141 1.00 0.00 C ATOM 885 CD GLN A 60 18.290 4.065 -12.178 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.381 4.697 -12.699 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.478 2.814 -12.527 1.00 0.00 N ATOM 0 H GLN A 60 21.584 6.364 -12.211 1.00 0.00 H new ATOM 0 HA GLN A 60 21.156 5.510 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.968 4.187 -12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.725 3.280 -10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.786 4.542 -10.147 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.155 5.816 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.231 2.274 -12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.871 2.382 -13.223 1.00 0.00 H new ATOM 896 N THR A 61 22.883 3.690 -9.059 1.00 0.00 N ATOM 897 CA THR A 61 24.009 2.922 -8.487 1.00 0.00 C ATOM 898 C THR A 61 23.621 1.450 -8.255 1.00 0.00 C ATOM 899 O THR A 61 22.476 1.050 -8.489 1.00 0.00 O ATOM 900 CB THR A 61 24.494 3.566 -7.166 1.00 0.00 C ATOM 901 OG1 THR A 61 23.427 3.640 -6.239 1.00 0.00 O ATOM 902 CG2 THR A 61 25.041 4.980 -7.373 1.00 0.00 C ATOM 0 H THR A 61 22.012 3.516 -8.558 1.00 0.00 H new ATOM 0 HA THR A 61 24.827 2.946 -9.208 1.00 0.00 H new ATOM 0 HB THR A 61 25.297 2.933 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.745 4.047 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.368 5.387 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.886 4.946 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.259 5.615 -7.790 1.00 0.00 H new ATOM 910 N SER A 62 24.578 0.615 -7.830 1.00 0.00 N ATOM 911 CA SER A 62 24.348 -0.795 -7.479 1.00 0.00 C ATOM 912 C SER A 62 25.375 -1.332 -6.469 1.00 0.00 C ATOM 913 O SER A 62 26.505 -0.845 -6.382 1.00 0.00 O ATOM 914 CB SER A 62 24.408 -1.654 -8.743 1.00 0.00 C ATOM 915 OG SER A 62 23.986 -2.987 -8.476 1.00 0.00 O ATOM 0 H SER A 62 25.550 0.904 -7.718 1.00 0.00 H new ATOM 0 HA SER A 62 23.364 -0.849 -7.014 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.775 -1.216 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.426 -1.662 -9.133 1.00 0.00 H new ATOM 0 HG SER A 62 24.755 -3.523 -8.190 1.00 0.00 H new ATOM 921 N ASP A 63 24.975 -2.381 -5.750 1.00 0.00 N ATOM 922 CA ASP A 63 25.812 -3.222 -4.889 1.00 0.00 C ATOM 923 C ASP A 63 25.333 -4.688 -5.015 1.00 0.00 C ATOM 924 O ASP A 63 24.208 -4.913 -5.477 1.00 0.00 O ATOM 925 CB ASP A 63 25.758 -2.735 -3.434 1.00 0.00 C ATOM 926 CG ASP A 63 26.541 -1.433 -3.213 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.794 -1.488 -3.148 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.913 -0.359 -3.037 1.00 0.00 O ATOM 0 H ASP A 63 24.002 -2.686 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 63 26.853 -3.158 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.718 -2.582 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 63 26.159 -3.510 -2.781 1.00 0.00 H new ATOM 933 N PRO A 64 26.136 -5.703 -4.630 1.00 0.00 N ATOM 934 CA PRO A 64 25.719 -7.109 -4.676 1.00 0.00 C ATOM 935 C PRO A 64 24.462 -7.376 -3.847 1.00 0.00 C ATOM 936 O PRO A 64 24.362 -6.916 -2.708 1.00 0.00 O ATOM 937 CB PRO A 64 26.921 -7.912 -4.163 1.00 0.00 C ATOM 938 CG PRO A 64 28.110 -7.003 -4.474 1.00 0.00 C ATOM 939 CD PRO A 64 27.533 -5.613 -4.221 1.00 0.00 C ATOM 0 HA PRO A 64 25.444 -7.400 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.841 -8.118 -3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 64 27.007 -8.874 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.962 -7.213 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.453 -7.120 -5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.619 -5.335 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 64 28.064 -4.855 -4.796 1.00 0.00 H new ATOM 947 N ILE A 65 23.508 -8.139 -4.387 1.00 0.00 N ATOM 948 CA ILE A 65 22.180 -8.340 -3.772 1.00 0.00 C ATOM 949 C ILE A 65 22.233 -8.832 -2.312 1.00 0.00 C ATOM 950 O ILE A 65 21.416 -8.421 -1.492 1.00 0.00 O ATOM 951 CB ILE A 65 21.335 -9.276 -4.668 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.856 -9.232 -4.237 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.866 -10.727 -4.678 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.932 -10.042 -5.147 1.00 0.00 C ATOM 0 H ILE A 65 23.629 -8.640 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 65 21.700 -7.363 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 65 21.419 -8.909 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.771 -9.609 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.521 -8.195 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.236 -11.341 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 65 22.889 -10.737 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.848 -11.128 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.907 -9.966 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.988 -9.651 -6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.242 -11.087 -5.143 1.00 0.00 H new ATOM 966 N GLU A 66 23.235 -9.641 -1.950 1.00 0.00 N ATOM 967 CA GLU A 66 23.391 -10.189 -0.592 1.00 0.00 C ATOM 968 C GLU A 66 23.794 -9.135 0.464 1.00 0.00 C ATOM 969 O GLU A 66 23.697 -9.407 1.661 1.00 0.00 O ATOM 970 CB GLU A 66 24.384 -11.364 -0.600 1.00 0.00 C ATOM 971 CG GLU A 66 23.938 -12.529 -1.495 1.00 0.00 C ATOM 972 CD GLU A 66 24.894 -13.727 -1.342 1.00 0.00 C ATOM 973 OE1 GLU A 66 25.903 -13.804 -2.087 1.00 0.00 O ATOM 974 OE2 GLU A 66 24.649 -14.597 -0.469 1.00 0.00 O ATOM 0 H GLU A 66 23.968 -9.938 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 66 22.406 -10.546 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.357 -11.007 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.515 -11.727 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.924 -12.830 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.914 -12.207 -2.536 1.00 0.00 H new ATOM 981 N ASN A 67 24.205 -7.922 0.054 1.00 0.00 N ATOM 982 CA ASN A 67 24.403 -6.790 0.973 1.00 0.00 C ATOM 983 C ASN A 67 23.063 -6.165 1.433 1.00 0.00 C ATOM 984 O ASN A 67 23.026 -5.490 2.464 1.00 0.00 O ATOM 985 CB ASN A 67 25.369 -5.756 0.345 1.00 0.00 C ATOM 986 CG ASN A 67 24.673 -4.493 -0.147 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.707 -3.445 0.483 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.993 -4.559 -1.263 1.00 0.00 N ATOM 0 H ASN A 67 24.408 -7.700 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 67 24.870 -7.165 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 67 26.124 -5.482 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.893 -6.221 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.493 -3.738 -1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.963 -5.431 -1.791 1.00 0.00 H new ATOM 995 N PHE A 68 21.976 -6.382 0.682 1.00 0.00 N ATOM 996 CA PHE A 68 20.641 -5.842 0.954 1.00 0.00 C ATOM 997 C PHE A 68 19.782 -6.813 1.803 1.00 0.00 C ATOM 998 O PHE A 68 20.157 -7.957 2.060 1.00 0.00 O ATOM 999 CB PHE A 68 19.983 -5.414 -0.375 1.00 0.00 C ATOM 1000 CG PHE A 68 20.718 -4.349 -1.169 1.00 0.00 C ATOM 1001 CD1 PHE A 68 21.044 -3.109 -0.583 1.00 0.00 C ATOM 1002 CD2 PHE A 68 21.054 -4.592 -2.514 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.718 -2.130 -1.334 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.736 -3.616 -3.260 1.00 0.00 C ATOM 1005 CZ PHE A 68 22.062 -2.384 -2.673 1.00 0.00 C ATOM 0 H PHE A 68 22.004 -6.958 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 68 20.728 -4.950 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.874 -6.297 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.979 -5.050 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.776 -2.911 0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.787 -5.532 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.972 -1.182 -0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 68 22.009 -3.814 -4.286 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.577 -1.631 -3.250 1.00 0.00 H new ATOM 1015 N ASN A 69 18.608 -6.342 2.245 1.00 0.00 N ATOM 1016 CA ASN A 69 17.759 -7.015 3.249 1.00 0.00 C ATOM 1017 C ASN A 69 16.574 -7.869 2.733 1.00 0.00 C ATOM 1018 O ASN A 69 16.028 -8.648 3.512 1.00 0.00 O ATOM 1019 CB ASN A 69 17.288 -5.926 4.231 1.00 0.00 C ATOM 1020 CG ASN A 69 16.317 -4.979 3.558 1.00 0.00 C ATOM 1021 OD1 ASN A 69 15.163 -5.302 3.373 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.753 -3.858 3.043 1.00 0.00 N ATOM 0 H ASN A 69 18.210 -5.465 1.910 1.00 0.00 H new ATOM 0 HA ASN A 69 18.379 -7.779 3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.811 -6.390 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.148 -5.369 4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.125 -3.270 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 69 17.721 -3.572 3.189 1.00 0.00 H new ATOM 1029 N ALA A 70 16.142 -7.703 1.470 1.00 0.00 N ATOM 1030 CA ALA A 70 14.938 -8.242 0.825 1.00 0.00 C ATOM 1031 C ALA A 70 13.582 -7.846 1.437 1.00 0.00 C ATOM 1032 O ALA A 70 12.585 -7.734 0.728 1.00 0.00 O ATOM 1033 CB ALA A 70 15.078 -9.756 0.705 1.00 0.00 C ATOM 0 H ALA A 70 16.680 -7.134 0.816 1.00 0.00 H new ATOM 0 HA ALA A 70 14.898 -7.766 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.189 -10.167 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.956 -9.994 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.190 -10.191 1.698 1.00 0.00 H new ATOM 1039 N ASP A 71 13.535 -7.598 2.738 1.00 0.00 N ATOM 1040 CA ASP A 71 12.309 -7.419 3.510 1.00 0.00 C ATOM 1041 C ASP A 71 11.599 -6.091 3.212 1.00 0.00 C ATOM 1042 O ASP A 71 10.370 -6.014 3.146 1.00 0.00 O ATOM 1043 CB ASP A 71 12.686 -7.462 4.993 1.00 0.00 C ATOM 1044 CG ASP A 71 11.438 -7.425 5.893 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.667 -8.416 5.900 1.00 0.00 O ATOM 1046 OD2 ASP A 71 11.232 -6.417 6.611 1.00 0.00 O ATOM 0 H ASP A 71 14.377 -7.513 3.307 1.00 0.00 H new ATOM 0 HA ASP A 71 11.615 -8.214 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.257 -8.367 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.332 -6.617 5.230 1.00 0.00 H new ATOM 1051 N ASP A 72 12.404 -5.057 2.982 1.00 0.00 N ATOM 1052 CA ASP A 72 12.013 -3.703 2.606 1.00 0.00 C ATOM 1053 C ASP A 72 11.728 -3.585 1.095 1.00 0.00 C ATOM 1054 O ASP A 72 11.357 -2.513 0.621 1.00 0.00 O ATOM 1055 CB ASP A 72 13.128 -2.756 3.072 1.00 0.00 C ATOM 1056 CG ASP A 72 12.741 -1.271 2.992 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.753 -0.857 3.644 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.467 -0.498 2.319 1.00 0.00 O ATOM 0 H ASP A 72 13.417 -5.151 3.059 1.00 0.00 H new ATOM 0 HA ASP A 72 11.075 -3.431 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.395 -2.999 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.016 -2.926 2.464 1.00 0.00 H new ATOM 1063 N TYR A 73 11.884 -4.690 0.351 1.00 0.00 N ATOM 1064 CA TYR A 73 11.512 -4.858 -1.046 1.00 0.00 C ATOM 1065 C TYR A 73 10.356 -5.855 -1.122 1.00 0.00 C ATOM 1066 O TYR A 73 10.536 -7.029 -1.431 1.00 0.00 O ATOM 1067 CB TYR A 73 12.731 -5.296 -1.866 1.00 0.00 C ATOM 1068 CG TYR A 73 13.862 -4.298 -1.800 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.841 -3.168 -2.632 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.908 -4.477 -0.876 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.875 -2.220 -2.550 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.955 -3.535 -0.801 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.932 -2.389 -1.629 1.00 0.00 C ATOM 1074 OH TYR A 73 16.925 -1.458 -1.573 1.00 0.00 O ATOM 0 H TYR A 73 12.299 -5.537 0.740 1.00 0.00 H new ATOM 0 HA TYR A 73 11.174 -3.915 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 73 13.081 -6.262 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.434 -5.436 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.032 -3.027 -3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.909 -5.337 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.861 -1.355 -3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.773 -3.689 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 73 17.577 -1.716 -0.889 1.00 0.00 H new ATOM 1084 N ASP A 74 9.158 -5.374 -0.801 1.00 0.00 N ATOM 1085 CA ASP A 74 7.891 -6.127 -0.805 1.00 0.00 C ATOM 1086 C ASP A 74 7.614 -6.841 -2.138 1.00 0.00 C ATOM 1087 O ASP A 74 6.871 -7.820 -2.176 1.00 0.00 O ATOM 1088 CB ASP A 74 6.721 -5.160 -0.556 1.00 0.00 C ATOM 1089 CG ASP A 74 7.020 -4.101 0.515 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.708 -3.110 0.164 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.560 -4.250 1.673 1.00 0.00 O ATOM 0 H ASP A 74 9.030 -4.403 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 74 7.982 -6.880 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.469 -4.659 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.844 -5.733 -0.255 1.00 0.00 H new ATOM 1096 N VAL A 75 8.199 -6.346 -3.233 1.00 0.00 N ATOM 1097 CA VAL A 75 8.031 -6.842 -4.597 1.00 0.00 C ATOM 1098 C VAL A 75 9.414 -6.970 -5.250 1.00 0.00 C ATOM 1099 O VAL A 75 10.217 -6.039 -5.201 1.00 0.00 O ATOM 1100 CB VAL A 75 7.070 -5.894 -5.347 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.988 -6.240 -6.840 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.655 -5.990 -4.761 1.00 0.00 C ATOM 0 H VAL A 75 8.834 -5.549 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 75 7.582 -7.835 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 75 7.465 -4.885 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.303 -5.552 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.978 -6.153 -7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.625 -7.261 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.991 -5.315 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.290 -7.013 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.678 -5.710 -3.708 1.00 0.00 H new ATOM 1112 N VAL A 76 9.734 -8.115 -5.862 1.00 0.00 N ATOM 1113 CA VAL A 76 11.069 -8.365 -6.454 1.00 0.00 C ATOM 1114 C VAL A 76 10.925 -8.990 -7.841 1.00 0.00 C ATOM 1115 O VAL A 76 10.327 -10.050 -7.992 1.00 0.00 O ATOM 1116 CB VAL A 76 11.942 -9.247 -5.532 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.283 -9.606 -6.193 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.279 -8.562 -4.197 1.00 0.00 C ATOM 0 H VAL A 76 9.085 -8.895 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 76 11.578 -7.407 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 76 11.342 -10.139 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.869 -10.226 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.098 -10.154 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.834 -8.693 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.893 -9.228 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.826 -7.639 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.357 -8.333 -3.663 1.00 0.00 H new ATOM 1128 N ILE A 77 11.477 -8.332 -8.861 1.00 0.00 N ATOM 1129 CA ILE A 77 11.465 -8.780 -10.260 1.00 0.00 C ATOM 1130 C ILE A 77 12.904 -9.104 -10.675 1.00 0.00 C ATOM 1131 O ILE A 77 13.780 -8.242 -10.664 1.00 0.00 O ATOM 1132 CB ILE A 77 10.827 -7.712 -11.189 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.285 -7.519 -11.132 1.00 0.00 C ATOM 1134 CG2 ILE A 77 11.170 -7.996 -12.667 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.570 -7.914 -9.839 1.00 0.00 C ATOM 0 H ILE A 77 11.961 -7.443 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 77 10.850 -9.675 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 77 11.266 -6.796 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.070 -6.468 -11.327 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.844 -8.091 -11.948 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.712 -7.235 -13.299 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.252 -7.976 -12.800 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.788 -8.978 -12.947 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.501 -7.726 -9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.734 -8.973 -9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.964 -7.325 -9.011 1.00 0.00 H new ATOM 1147 N SER A 78 13.144 -10.346 -11.070 1.00 0.00 N ATOM 1148 CA SER A 78 14.375 -10.793 -11.718 1.00 0.00 C ATOM 1149 C SER A 78 14.247 -10.631 -13.234 1.00 0.00 C ATOM 1150 O SER A 78 13.137 -10.554 -13.763 1.00 0.00 O ATOM 1151 CB SER A 78 14.678 -12.226 -11.279 1.00 0.00 C ATOM 1152 OG SER A 78 15.762 -12.759 -12.005 1.00 0.00 O ATOM 0 H SER A 78 12.466 -11.098 -10.945 1.00 0.00 H new ATOM 0 HA SER A 78 15.224 -10.180 -11.414 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.906 -12.243 -10.213 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.796 -12.849 -11.426 1.00 0.00 H new ATOM 0 HG SER A 78 15.424 -13.272 -12.768 1.00 0.00 H new ATOM 1158 N LEU A 79 15.370 -10.533 -13.947 1.00 0.00 N ATOM 1159 CA LEU A 79 15.417 -10.409 -15.407 1.00 0.00 C ATOM 1160 C LEU A 79 16.400 -11.417 -16.029 1.00 0.00 C ATOM 1161 O LEU A 79 17.204 -11.063 -16.890 1.00 0.00 O ATOM 1162 CB LEU A 79 15.681 -8.947 -15.832 1.00 0.00 C ATOM 1163 CG LEU A 79 14.670 -7.902 -15.318 1.00 0.00 C ATOM 1164 CD1 LEU A 79 15.121 -7.242 -14.013 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.502 -6.770 -16.331 1.00 0.00 C ATOM 0 H LEU A 79 16.295 -10.538 -13.516 1.00 0.00 H new ATOM 0 HA LEU A 79 14.437 -10.670 -15.806 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.675 -8.663 -15.487 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.697 -8.903 -16.921 1.00 0.00 H new ATOM 0 HG LEU A 79 13.740 -8.449 -15.159 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.373 -6.515 -13.696 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.238 -8.003 -13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.074 -6.737 -14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.785 -6.044 -15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.463 -6.281 -16.493 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.139 -7.177 -17.275 1.00 0.00 H new ATOM 1177 N CYS A 80 16.373 -12.660 -15.548 1.00 0.00 N ATOM 1178 CA CYS A 80 17.238 -13.755 -16.003 1.00 0.00 C ATOM 1179 C CYS A 80 16.463 -14.805 -16.826 1.00 0.00 C ATOM 1180 O CYS A 80 17.026 -15.409 -17.741 1.00 0.00 O ATOM 1181 CB CYS A 80 17.912 -14.374 -14.774 1.00 0.00 C ATOM 1182 SG CYS A 80 18.949 -13.124 -13.949 1.00 0.00 S ATOM 0 H CYS A 80 15.730 -12.944 -14.809 1.00 0.00 H new ATOM 0 HA CYS A 80 17.998 -13.360 -16.678 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.157 -14.748 -14.083 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.521 -15.227 -15.072 1.00 0.00 H new ATOM 0 HG CYS A 80 19.678 -13.698 -13.038 1.00 0.00 H new ATOM 1188 N GLY A 81 15.165 -14.966 -16.551 1.00 0.00 N ATOM 1189 CA GLY A 81 14.209 -15.749 -17.338 1.00 0.00 C ATOM 1190 C GLY A 81 14.120 -17.218 -16.913 1.00 0.00 C ATOM 1191 O GLY A 81 14.943 -18.041 -17.321 1.00 0.00 O ATOM 0 H GLY A 81 14.732 -14.533 -15.735 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.222 -15.294 -17.252 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.491 -15.700 -18.390 1.00 0.00 H new ATOM 1195 N CYS A 82 13.081 -17.548 -16.134 1.00 0.00 N ATOM 1196 CA CYS A 82 12.782 -18.898 -15.629 1.00 0.00 C ATOM 1197 C CYS A 82 13.985 -19.624 -14.972 1.00 0.00 C ATOM 1198 O CYS A 82 14.118 -20.849 -15.073 1.00 0.00 O ATOM 1199 CB CYS A 82 12.089 -19.717 -16.737 1.00 0.00 C ATOM 1200 SG CYS A 82 10.560 -18.897 -17.295 1.00 0.00 S ATOM 0 H CYS A 82 12.398 -16.856 -15.825 1.00 0.00 H new ATOM 0 HA CYS A 82 12.089 -18.791 -14.794 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.768 -19.842 -17.581 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.856 -20.715 -16.365 1.00 0.00 H new ATOM 0 HG CYS A 82 10.002 -19.609 -18.228 1.00 0.00 H new ATOM 1206 N GLY A 83 14.867 -18.876 -14.302 1.00 0.00 N ATOM 1207 CA GLY A 83 16.064 -19.392 -13.638 1.00 0.00 C ATOM 1208 C GLY A 83 16.975 -18.275 -13.124 1.00 0.00 C ATOM 1209 O GLY A 83 17.703 -17.649 -13.898 1.00 0.00 O ATOM 0 H GLY A 83 14.763 -17.866 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.768 -20.028 -12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 83 16.621 -20.019 -14.335 1.00 0.00 H new ATOM 1213 N VAL A 84 16.966 -18.062 -11.803 1.00 0.00 N ATOM 1214 CA VAL A 84 17.846 -17.119 -11.086 1.00 0.00 C ATOM 1215 C VAL A 84 18.282 -17.691 -9.727 1.00 0.00 C ATOM 1216 O VAL A 84 17.502 -18.368 -9.054 1.00 0.00 O ATOM 1217 CB VAL A 84 17.168 -15.735 -10.965 1.00 0.00 C ATOM 1218 CG1 VAL A 84 15.905 -15.740 -10.092 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.144 -14.665 -10.455 1.00 0.00 C ATOM 0 H VAL A 84 16.327 -18.555 -11.179 1.00 0.00 H new ATOM 0 HA VAL A 84 18.759 -16.978 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 84 16.858 -15.486 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.485 -14.735 -10.054 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.171 -16.424 -10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.161 -16.065 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.629 -13.707 -10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.516 -14.951 -9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.981 -14.576 -11.147 1.00 0.00 H new ATOM 1229 N ASN A 85 19.527 -17.423 -9.306 1.00 0.00 N ATOM 1230 CA ASN A 85 20.042 -17.830 -7.993 1.00 0.00 C ATOM 1231 C ASN A 85 19.747 -16.728 -6.957 1.00 0.00 C ATOM 1232 O ASN A 85 20.274 -15.621 -7.071 1.00 0.00 O ATOM 1233 CB ASN A 85 21.546 -18.143 -8.136 1.00 0.00 C ATOM 1234 CG ASN A 85 22.186 -18.680 -6.862 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.537 -18.939 -5.859 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.486 -18.881 -6.865 1.00 0.00 N ATOM 0 H ASN A 85 20.207 -16.915 -9.871 1.00 0.00 H new ATOM 0 HA ASN A 85 19.548 -18.732 -7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.682 -18.872 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.069 -17.236 -8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.947 -19.251 -6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.033 -18.667 -7.699 1.00 0.00 H new ATOM 1243 N LEU A 86 18.896 -17.014 -5.966 1.00 0.00 N ATOM 1244 CA LEU A 86 18.454 -16.053 -4.946 1.00 0.00 C ATOM 1245 C LEU A 86 18.302 -16.687 -3.548 1.00 0.00 C ATOM 1246 O LEU A 86 17.728 -17.776 -3.443 1.00 0.00 O ATOM 1247 CB LEU A 86 17.082 -15.464 -5.344 1.00 0.00 C ATOM 1248 CG LEU A 86 17.073 -14.467 -6.511 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.631 -14.052 -6.796 1.00 0.00 C ATOM 1250 CD2 LEU A 86 17.856 -13.192 -6.204 1.00 0.00 C ATOM 0 H LEU A 86 18.485 -17.940 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 86 19.225 -15.284 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.417 -16.290 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.658 -14.969 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 86 17.539 -14.968 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.613 -13.343 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.044 -14.932 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.205 -13.584 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.815 -12.524 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.418 -12.696 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.894 -13.445 -5.990 1.00 0.00 H new ATOM 1262 N PRO A 87 18.742 -16.002 -2.471 1.00 0.00 N ATOM 1263 CA PRO A 87 18.433 -16.404 -1.099 1.00 0.00 C ATOM 1264 C PRO A 87 16.906 -16.349 -0.844 1.00 0.00 C ATOM 1265 O PRO A 87 16.233 -15.508 -1.454 1.00 0.00 O ATOM 1266 CB PRO A 87 19.205 -15.433 -0.193 1.00 0.00 C ATOM 1267 CG PRO A 87 20.340 -14.925 -1.083 1.00 0.00 C ATOM 1268 CD PRO A 87 19.708 -14.911 -2.472 1.00 0.00 C ATOM 0 HA PRO A 87 18.730 -17.433 -0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.570 -14.616 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.588 -15.934 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.675 -13.932 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.209 -15.581 -1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.222 -13.956 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.461 -15.054 -3.247 1.00 0.00 H new ATOM 1276 N PRO A 88 16.324 -17.192 0.036 1.00 0.00 N ATOM 1277 CA PRO A 88 14.865 -17.319 0.184 1.00 0.00 C ATOM 1278 C PRO A 88 14.122 -16.006 0.468 1.00 0.00 C ATOM 1279 O PRO A 88 13.015 -15.789 -0.030 1.00 0.00 O ATOM 1280 CB PRO A 88 14.657 -18.313 1.333 1.00 0.00 C ATOM 1281 CG PRO A 88 15.911 -19.181 1.280 1.00 0.00 C ATOM 1282 CD PRO A 88 17.000 -18.213 0.827 1.00 0.00 C ATOM 0 HA PRO A 88 14.443 -17.653 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.561 -17.804 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.752 -18.905 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.140 -19.614 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.796 -20.010 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.509 -17.770 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.758 -18.727 0.236 1.00 0.00 H new ATOM 1290 N GLU A 89 14.737 -15.086 1.211 1.00 0.00 N ATOM 1291 CA GLU A 89 14.148 -13.784 1.525 1.00 0.00 C ATOM 1292 C GLU A 89 13.898 -12.896 0.286 1.00 0.00 C ATOM 1293 O GLU A 89 13.045 -12.018 0.353 1.00 0.00 O ATOM 1294 CB GLU A 89 14.985 -13.071 2.598 1.00 0.00 C ATOM 1295 CG GLU A 89 16.450 -12.796 2.226 1.00 0.00 C ATOM 1296 CD GLU A 89 17.398 -13.858 2.830 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.256 -15.061 2.509 1.00 0.00 O ATOM 1298 OE2 GLU A 89 18.291 -13.487 3.633 1.00 0.00 O ATOM 0 H GLU A 89 15.664 -15.224 1.615 1.00 0.00 H new ATOM 0 HA GLU A 89 13.153 -13.973 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.505 -12.121 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.967 -13.673 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.555 -12.788 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.737 -11.806 2.582 1.00 0.00 H new ATOM 1305 N TRP A 90 14.566 -13.142 -0.852 1.00 0.00 N ATOM 1306 CA TRP A 90 14.390 -12.410 -2.118 1.00 0.00 C ATOM 1307 C TRP A 90 13.295 -12.980 -3.043 1.00 0.00 C ATOM 1308 O TRP A 90 13.014 -12.376 -4.080 1.00 0.00 O ATOM 1309 CB TRP A 90 15.730 -12.349 -2.864 1.00 0.00 C ATOM 1310 CG TRP A 90 16.703 -11.401 -2.253 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.746 -11.732 -1.458 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.666 -9.947 -2.287 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.357 -10.585 -0.999 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.696 -9.460 -1.439 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.827 -8.991 -2.897 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.838 -8.103 -1.150 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.971 -7.616 -2.628 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.962 -7.170 -1.732 1.00 0.00 C ATOM 0 H TRP A 90 15.267 -13.880 -0.919 1.00 0.00 H new ATOM 0 HA TRP A 90 14.049 -11.412 -1.845 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.170 -13.346 -2.887 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.549 -12.056 -3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.053 -12.740 -1.220 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.190 -10.571 -0.410 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.060 -9.319 -3.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.618 -7.770 -0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.320 -6.902 -3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 90 17.048 -6.120 -1.494 1.00 0.00 H new ATOM 1329 N VAL A 91 12.699 -14.130 -2.704 1.00 0.00 N ATOM 1330 CA VAL A 91 11.637 -14.791 -3.505 1.00 0.00 C ATOM 1331 C VAL A 91 10.284 -14.912 -2.791 1.00 0.00 C ATOM 1332 O VAL A 91 9.254 -15.075 -3.441 1.00 0.00 O ATOM 1333 CB VAL A 91 12.082 -16.186 -3.980 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.238 -16.103 -4.978 1.00 0.00 C ATOM 1335 CG2 VAL A 91 12.515 -17.085 -2.813 1.00 0.00 C ATOM 0 H VAL A 91 12.938 -14.642 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 91 11.487 -14.129 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 91 11.209 -16.623 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.523 -17.108 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.926 -15.528 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.091 -15.614 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.820 -18.058 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.352 -16.623 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.681 -17.213 -2.123 1.00 0.00 H new ATOM 1345 N THR A 92 10.270 -14.834 -1.458 1.00 0.00 N ATOM 1346 CA THR A 92 9.091 -15.043 -0.586 1.00 0.00 C ATOM 1347 C THR A 92 8.102 -13.851 -0.557 1.00 0.00 C ATOM 1348 O THR A 92 7.046 -13.907 0.078 1.00 0.00 O ATOM 1349 CB THR A 92 9.598 -15.452 0.813 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.566 -15.832 1.703 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.405 -14.330 1.466 1.00 0.00 C ATOM 0 H THR A 92 11.112 -14.614 -0.925 1.00 0.00 H new ATOM 0 HA THR A 92 8.486 -15.847 -1.005 1.00 0.00 H new ATOM 0 HB THR A 92 10.230 -16.322 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.750 -15.333 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.746 -14.652 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.267 -14.092 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.778 -13.445 1.572 1.00 0.00 H new ATOM 1359 N GLN A 93 8.426 -12.771 -1.277 1.00 0.00 N ATOM 1360 CA GLN A 93 7.632 -11.554 -1.490 1.00 0.00 C ATOM 1361 C GLN A 93 6.176 -11.808 -1.936 1.00 0.00 C ATOM 1362 O GLN A 93 5.865 -12.817 -2.571 1.00 0.00 O ATOM 1363 CB GLN A 93 8.339 -10.702 -2.565 1.00 0.00 C ATOM 1364 CG GLN A 93 9.453 -9.807 -2.004 1.00 0.00 C ATOM 1365 CD GLN A 93 10.731 -10.535 -1.586 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.919 -11.713 -1.844 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.651 -9.891 -0.905 1.00 0.00 N ATOM 0 H GLN A 93 9.321 -12.721 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 93 7.568 -11.048 -0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.762 -11.364 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.600 -10.077 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.710 -9.061 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.063 -9.268 -1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.520 -8.906 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.497 -10.376 -0.606 1.00 0.00 H new ATOM 1376 N GLU A 94 5.289 -10.836 -1.672 1.00 0.00 N ATOM 1377 CA GLU A 94 3.878 -10.890 -2.099 1.00 0.00 C ATOM 1378 C GLU A 94 3.713 -10.980 -3.629 1.00 0.00 C ATOM 1379 O GLU A 94 2.807 -11.670 -4.106 1.00 0.00 O ATOM 1380 CB GLU A 94 3.066 -9.714 -1.521 1.00 0.00 C ATOM 1381 CG GLU A 94 3.679 -8.322 -1.712 1.00 0.00 C ATOM 1382 CD GLU A 94 2.707 -7.224 -1.232 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.546 -7.052 0.004 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.098 -6.523 -2.078 1.00 0.00 O ATOM 0 H GLU A 94 5.528 -9.989 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 94 3.475 -11.816 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.077 -9.721 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.925 -9.885 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.615 -8.253 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.919 -8.167 -2.764 1.00 0.00 H new ATOM 1391 N ILE A 95 4.610 -10.337 -4.392 1.00 0.00 N ATOM 1392 CA ILE A 95 4.735 -10.496 -5.849 1.00 0.00 C ATOM 1393 C ILE A 95 6.210 -10.727 -6.211 1.00 0.00 C ATOM 1394 O ILE A 95 7.085 -9.938 -5.844 1.00 0.00 O ATOM 1395 CB ILE A 95 4.114 -9.311 -6.633 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.582 -9.187 -6.435 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.376 -9.458 -8.147 1.00 0.00 C ATOM 1398 CD1 ILE A 95 2.163 -8.180 -5.360 1.00 0.00 C ATOM 0 H ILE A 95 5.284 -9.677 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 95 4.160 -11.371 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 95 4.594 -8.417 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.128 -8.899 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.181 -10.166 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.931 -8.616 -8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.450 -9.476 -8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.932 -10.387 -8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.076 -8.157 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.585 -8.477 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.530 -7.189 -5.627 1.00 0.00 H new ATOM 1410 N PHE A 96 6.465 -11.788 -6.981 1.00 0.00 N ATOM 1411 CA PHE A 96 7.759 -12.096 -7.592 1.00 0.00 C ATOM 1412 C PHE A 96 7.616 -12.349 -9.101 1.00 0.00 C ATOM 1413 O PHE A 96 6.603 -12.886 -9.554 1.00 0.00 O ATOM 1414 CB PHE A 96 8.411 -13.293 -6.880 1.00 0.00 C ATOM 1415 CG PHE A 96 9.808 -13.616 -7.384 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.920 -12.954 -6.834 1.00 0.00 C ATOM 1417 CD2 PHE A 96 10.003 -14.539 -8.431 1.00 0.00 C ATOM 1418 CE1 PHE A 96 12.213 -13.204 -7.327 1.00 0.00 C ATOM 1419 CE2 PHE A 96 11.296 -14.798 -8.919 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.401 -14.124 -8.371 1.00 0.00 C ATOM 0 H PHE A 96 5.750 -12.480 -7.204 1.00 0.00 H new ATOM 0 HA PHE A 96 8.412 -11.231 -7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.459 -13.087 -5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.776 -14.170 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.780 -12.249 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.154 -15.050 -8.861 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.062 -12.688 -6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.440 -15.514 -9.714 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.393 -14.313 -8.752 1.00 0.00 H new ATOM 1430 N GLU A 97 8.640 -11.997 -9.878 1.00 0.00 N ATOM 1431 CA GLU A 97 8.752 -12.295 -11.316 1.00 0.00 C ATOM 1432 C GLU A 97 10.195 -12.649 -11.701 1.00 0.00 C ATOM 1433 O GLU A 97 11.135 -12.252 -11.018 1.00 0.00 O ATOM 1434 CB GLU A 97 8.334 -11.078 -12.160 1.00 0.00 C ATOM 1435 CG GLU A 97 6.889 -10.581 -12.009 1.00 0.00 C ATOM 1436 CD GLU A 97 5.818 -11.596 -12.467 1.00 0.00 C ATOM 1437 OE1 GLU A 97 6.130 -12.569 -13.197 1.00 0.00 O ATOM 1438 OE2 GLU A 97 4.624 -11.374 -12.151 1.00 0.00 O ATOM 0 H GLU A 97 9.442 -11.480 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 97 8.094 -13.142 -11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.002 -10.252 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.499 -11.322 -13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.711 -10.329 -10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.771 -9.662 -12.583 1.00 0.00 H new ATOM 1445 N ASP A 98 10.383 -13.333 -12.833 1.00 0.00 N ATOM 1446 CA ASP A 98 11.699 -13.546 -13.451 1.00 0.00 C ATOM 1447 C ASP A 98 11.592 -13.447 -14.986 1.00 0.00 C ATOM 1448 O ASP A 98 11.339 -14.438 -15.677 1.00 0.00 O ATOM 1449 CB ASP A 98 12.347 -14.856 -12.984 1.00 0.00 C ATOM 1450 CG ASP A 98 13.766 -15.027 -13.556 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.423 -14.007 -13.890 1.00 0.00 O ATOM 1452 OD2 ASP A 98 14.224 -16.184 -13.671 1.00 0.00 O ATOM 0 H ASP A 98 9.617 -13.761 -13.354 1.00 0.00 H new ATOM 0 HA ASP A 98 12.367 -12.752 -13.118 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.390 -14.873 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.727 -15.698 -13.292 1.00 0.00 H new ATOM 1457 N TRP A 99 11.717 -12.223 -15.506 1.00 0.00 N ATOM 1458 CA TRP A 99 11.439 -11.862 -16.899 1.00 0.00 C ATOM 1459 C TRP A 99 12.421 -12.486 -17.900 1.00 0.00 C ATOM 1460 O TRP A 99 13.632 -12.515 -17.692 1.00 0.00 O ATOM 1461 CB TRP A 99 11.386 -10.327 -17.028 1.00 0.00 C ATOM 1462 CG TRP A 99 10.285 -9.622 -16.284 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.190 -10.218 -15.748 1.00 0.00 C ATOM 1464 CD2 TRP A 99 10.122 -8.188 -16.018 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.377 -9.269 -15.170 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.902 -8.008 -15.298 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.848 -7.012 -16.326 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.439 -6.753 -14.893 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.391 -5.739 -15.921 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.188 -5.611 -15.208 1.00 0.00 C ATOM 0 H TRP A 99 12.026 -11.427 -14.948 1.00 0.00 H new ATOM 0 HA TRP A 99 10.468 -12.281 -17.161 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.339 -9.924 -16.686 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.295 -10.078 -18.085 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.987 -11.278 -15.771 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.494 -9.478 -14.704 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.770 -7.090 -16.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.514 -6.664 -14.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.970 -4.859 -16.161 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.841 -4.635 -14.903 1.00 0.00 H new ATOM 1481 N GLN A 100 11.887 -12.915 -19.047 1.00 0.00 N ATOM 1482 CA GLN A 100 12.589 -13.597 -20.153 1.00 0.00 C ATOM 1483 C GLN A 100 13.071 -12.515 -21.136 1.00 0.00 C ATOM 1484 O GLN A 100 12.729 -12.487 -22.320 1.00 0.00 O ATOM 1485 CB GLN A 100 11.671 -14.656 -20.804 1.00 0.00 C ATOM 1486 CG GLN A 100 11.031 -15.672 -19.832 1.00 0.00 C ATOM 1487 CD GLN A 100 9.760 -15.186 -19.118 1.00 0.00 C ATOM 1488 OE1 GLN A 100 9.290 -14.064 -19.266 1.00 0.00 O ATOM 1489 NE2 GLN A 100 9.146 -16.023 -18.310 1.00 0.00 N ATOM 0 H GLN A 100 10.894 -12.791 -19.246 1.00 0.00 H new ATOM 0 HA GLN A 100 13.459 -14.148 -19.795 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.874 -14.140 -21.339 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.250 -15.205 -21.547 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.792 -16.580 -20.386 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.770 -15.944 -19.078 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.518 -16.962 -18.170 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.298 -15.733 -17.823 1.00 0.00 H new ATOM 1498 N LEU A 101 13.825 -11.572 -20.573 1.00 0.00 N ATOM 1499 CA LEU A 101 14.215 -10.300 -21.168 1.00 0.00 C ATOM 1500 C LEU A 101 15.744 -10.196 -21.301 1.00 0.00 C ATOM 1501 O LEU A 101 16.466 -10.361 -20.320 1.00 0.00 O ATOM 1502 CB LEU A 101 13.550 -9.287 -20.210 1.00 0.00 C ATOM 1503 CG LEU A 101 13.465 -7.806 -20.558 1.00 0.00 C ATOM 1504 CD1 LEU A 101 14.819 -7.121 -20.454 1.00 0.00 C ATOM 1505 CD2 LEU A 101 12.872 -7.548 -21.942 1.00 0.00 C ATOM 0 H LEU A 101 14.202 -11.685 -19.632 1.00 0.00 H new ATOM 0 HA LEU A 101 13.892 -10.137 -22.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.530 -9.632 -20.040 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.074 -9.360 -19.257 1.00 0.00 H new ATOM 0 HG LEU A 101 12.788 -7.378 -19.819 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.714 -6.067 -20.710 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.195 -7.211 -19.435 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.520 -7.594 -21.142 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.839 -6.475 -22.129 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.491 -8.029 -22.699 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.862 -7.956 -21.987 1.00 0.00 H new ATOM 1517 N GLU A 102 16.238 -9.932 -22.513 1.00 0.00 N ATOM 1518 CA GLU A 102 17.660 -9.893 -22.863 1.00 0.00 C ATOM 1519 C GLU A 102 18.311 -8.550 -22.512 1.00 0.00 C ATOM 1520 O GLU A 102 17.637 -7.537 -22.355 1.00 0.00 O ATOM 1521 CB GLU A 102 17.830 -10.230 -24.356 1.00 0.00 C ATOM 1522 CG GLU A 102 17.342 -9.142 -25.320 1.00 0.00 C ATOM 1523 CD GLU A 102 17.473 -9.614 -26.779 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.609 -9.611 -27.315 1.00 0.00 O ATOM 1525 OE2 GLU A 102 16.448 -9.998 -27.394 1.00 0.00 O ATOM 0 H GLU A 102 15.634 -9.731 -23.310 1.00 0.00 H new ATOM 0 HA GLU A 102 18.178 -10.643 -22.266 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.884 -10.424 -24.553 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.291 -11.153 -24.569 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.302 -8.896 -25.103 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.922 -8.231 -25.173 1.00 0.00 H new ATOM 1532 N ASP A 103 19.639 -8.519 -22.442 1.00 0.00 N ATOM 1533 CA ASP A 103 20.372 -7.261 -22.265 1.00 0.00 C ATOM 1534 C ASP A 103 20.785 -6.667 -23.620 1.00 0.00 C ATOM 1535 O ASP A 103 21.397 -7.373 -24.428 1.00 0.00 O ATOM 1536 CB ASP A 103 21.592 -7.437 -21.349 1.00 0.00 C ATOM 1537 CG ASP A 103 21.692 -6.251 -20.401 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.238 -5.205 -20.793 1.00 0.00 O ATOM 1539 OD2 ASP A 103 21.155 -6.349 -19.277 1.00 0.00 O ATOM 0 H ASP A 103 20.232 -9.347 -22.505 1.00 0.00 H new ATOM 0 HA ASP A 103 19.696 -6.559 -21.778 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.503 -8.363 -20.781 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.500 -7.516 -21.947 1.00 0.00 H new ATOM 1544 N PRO A 104 20.494 -5.383 -23.898 1.00 0.00 N ATOM 1545 CA PRO A 104 20.952 -4.738 -25.124 1.00 0.00 C ATOM 1546 C PRO A 104 22.446 -4.363 -25.072 1.00 0.00 C ATOM 1547 O PRO A 104 23.027 -4.071 -26.115 1.00 0.00 O ATOM 1548 CB PRO A 104 20.028 -3.533 -25.279 1.00 0.00 C ATOM 1549 CG PRO A 104 19.742 -3.127 -23.832 1.00 0.00 C ATOM 1550 CD PRO A 104 19.679 -4.470 -23.107 1.00 0.00 C ATOM 0 HA PRO A 104 20.896 -5.399 -25.989 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.506 -2.728 -25.837 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.114 -3.792 -25.813 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.527 -2.487 -23.429 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.805 -2.576 -23.744 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.062 -4.384 -22.090 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.652 -4.827 -23.032 1.00 0.00 H new ATOM 1558 N ASP A 105 23.097 -4.406 -23.899 1.00 0.00 N ATOM 1559 CA ASP A 105 24.543 -4.198 -23.756 1.00 0.00 C ATOM 1560 C ASP A 105 25.369 -5.051 -24.745 1.00 0.00 C ATOM 1561 O ASP A 105 25.208 -6.273 -24.828 1.00 0.00 O ATOM 1562 CB ASP A 105 24.954 -4.514 -22.318 1.00 0.00 C ATOM 1563 CG ASP A 105 26.462 -4.336 -22.129 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.936 -3.180 -22.059 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.207 -5.334 -22.009 1.00 0.00 O ATOM 0 H ASP A 105 22.626 -4.589 -23.013 1.00 0.00 H new ATOM 0 HA ASP A 105 24.754 -3.155 -23.992 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.418 -3.860 -21.630 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.671 -5.537 -22.071 1.00 0.00 H new ATOM 1570 N GLY A 106 26.255 -4.394 -25.505 1.00 0.00 N ATOM 1571 CA GLY A 106 27.086 -5.025 -26.541 1.00 0.00 C ATOM 1572 C GLY A 106 26.357 -5.393 -27.847 1.00 0.00 C ATOM 1573 O GLY A 106 26.996 -5.918 -28.762 1.00 0.00 O ATOM 0 H GLY A 106 26.418 -3.391 -25.416 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.908 -4.351 -26.782 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.528 -5.930 -26.125 1.00 0.00 H new ATOM 1577 N GLN A 107 25.048 -5.123 -27.957 1.00 0.00 N ATOM 1578 CA GLN A 107 24.233 -5.351 -29.159 1.00 0.00 C ATOM 1579 C GLN A 107 23.978 -4.047 -29.951 1.00 0.00 C ATOM 1580 O GLN A 107 24.537 -2.992 -29.640 1.00 0.00 O ATOM 1581 CB GLN A 107 22.928 -6.080 -28.778 1.00 0.00 C ATOM 1582 CG GLN A 107 23.161 -7.396 -28.016 1.00 0.00 C ATOM 1583 CD GLN A 107 21.921 -8.282 -28.095 1.00 0.00 C ATOM 1584 OE1 GLN A 107 21.674 -8.956 -29.085 1.00 0.00 O ATOM 1585 NE2 GLN A 107 21.082 -8.285 -27.089 1.00 0.00 N ATOM 0 H GLN A 107 24.510 -4.727 -27.186 1.00 0.00 H new ATOM 0 HA GLN A 107 24.793 -5.996 -29.837 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.317 -5.418 -28.165 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.360 -6.290 -29.684 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.018 -7.921 -28.437 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.398 -7.183 -26.974 1.00 0.00 H new ATOM 0 HE21 GLN A 107 21.279 -7.726 -26.259 1.00 0.00 H new ATOM 0 HE22 GLN A 107 20.232 -8.846 -27.136 1.00 0.00 H new ATOM 1594 N SER A 108 23.157 -4.121 -31.008 1.00 0.00 N ATOM 1595 CA SER A 108 22.867 -2.980 -31.893 1.00 0.00 C ATOM 1596 C SER A 108 21.893 -1.991 -31.250 1.00 0.00 C ATOM 1597 O SER A 108 21.081 -2.362 -30.403 1.00 0.00 O ATOM 1598 CB SER A 108 22.348 -3.485 -33.249 1.00 0.00 C ATOM 1599 OG SER A 108 22.075 -2.397 -34.119 1.00 0.00 O ATOM 0 H SER A 108 22.672 -4.978 -31.276 1.00 0.00 H new ATOM 0 HA SER A 108 23.796 -2.434 -32.059 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.087 -4.144 -33.704 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.443 -4.075 -33.101 1.00 0.00 H new ATOM 0 HG SER A 108 21.747 -2.739 -34.977 1.00 0.00 H new ATOM 1605 N LEU A 109 21.905 -0.729 -31.688 1.00 0.00 N ATOM 1606 CA LEU A 109 20.997 0.321 -31.200 1.00 0.00 C ATOM 1607 C LEU A 109 19.531 0.015 -31.540 1.00 0.00 C ATOM 1608 O LEU A 109 18.638 0.373 -30.777 1.00 0.00 O ATOM 1609 CB LEU A 109 21.488 1.692 -31.703 1.00 0.00 C ATOM 1610 CG LEU A 109 22.598 2.306 -30.819 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.817 1.403 -30.612 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.075 3.617 -31.438 1.00 0.00 C ATOM 0 H LEU A 109 22.554 -0.400 -32.402 1.00 0.00 H new ATOM 0 HA LEU A 109 21.020 0.349 -30.111 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.862 1.585 -32.721 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.644 2.380 -31.744 1.00 0.00 H new ATOM 0 HG LEU A 109 22.143 2.455 -29.840 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.545 1.913 -29.981 1.00 0.00 H new ATOM 0 HD12 LEU A 109 23.506 0.476 -30.131 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.270 1.176 -31.577 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.858 4.050 -30.815 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.470 3.426 -32.436 1.00 0.00 H new ATOM 0 HD23 LEU A 109 22.239 4.313 -31.506 1.00 0.00 H new ATOM 1624 N GLU A 110 19.273 -0.765 -32.592 1.00 0.00 N ATOM 1625 CA GLU A 110 17.936 -1.308 -32.877 1.00 0.00 C ATOM 1626 C GLU A 110 17.489 -2.310 -31.795 1.00 0.00 C ATOM 1627 O GLU A 110 16.306 -2.375 -31.464 1.00 0.00 O ATOM 1628 CB GLU A 110 17.916 -1.971 -34.264 1.00 0.00 C ATOM 1629 CG GLU A 110 18.133 -0.960 -35.397 1.00 0.00 C ATOM 1630 CD GLU A 110 17.993 -1.637 -36.776 1.00 0.00 C ATOM 1631 OE1 GLU A 110 19.005 -2.141 -37.324 1.00 0.00 O ATOM 1632 OE2 GLU A 110 16.867 -1.667 -37.331 1.00 0.00 O ATOM 0 H GLU A 110 19.982 -1.040 -33.272 1.00 0.00 H new ATOM 0 HA GLU A 110 17.230 -0.478 -32.870 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.691 -2.736 -34.310 1.00 0.00 H new ATOM 0 HB3 GLU A 110 16.961 -2.476 -34.409 1.00 0.00 H new ATOM 0 HG2 GLU A 110 17.409 -0.150 -35.310 1.00 0.00 H new ATOM 0 HG3 GLU A 110 19.123 -0.513 -35.306 1.00 0.00 H new ATOM 1639 N VAL A 111 18.422 -3.032 -31.160 1.00 0.00 N ATOM 1640 CA VAL A 111 18.127 -3.923 -30.021 1.00 0.00 C ATOM 1641 C VAL A 111 17.837 -3.106 -28.762 1.00 0.00 C ATOM 1642 O VAL A 111 16.858 -3.399 -28.091 1.00 0.00 O ATOM 1643 CB VAL A 111 19.219 -4.989 -29.785 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.792 -5.964 -28.681 1.00 0.00 C ATOM 1645 CG2 VAL A 111 19.464 -5.816 -31.055 1.00 0.00 C ATOM 0 H VAL A 111 19.408 -3.017 -31.420 1.00 0.00 H new ATOM 0 HA VAL A 111 17.228 -4.484 -30.277 1.00 0.00 H new ATOM 0 HB VAL A 111 20.126 -4.457 -29.499 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.575 -6.707 -28.530 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.629 -5.415 -27.754 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.869 -6.464 -28.974 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.237 -6.559 -30.862 1.00 0.00 H new ATOM 0 HG22 VAL A 111 18.542 -6.319 -31.345 1.00 0.00 H new ATOM 0 HG23 VAL A 111 19.787 -5.158 -31.861 1.00 0.00 H new ATOM 1655 N PHE A 112 18.573 -2.020 -28.482 1.00 0.00 N ATOM 1656 CA PHE A 112 18.205 -1.073 -27.407 1.00 0.00 C ATOM 1657 C PHE A 112 16.791 -0.502 -27.625 1.00 0.00 C ATOM 1658 O PHE A 112 15.955 -0.553 -26.723 1.00 0.00 O ATOM 1659 CB PHE A 112 19.225 0.078 -27.311 1.00 0.00 C ATOM 1660 CG PHE A 112 20.555 -0.254 -26.664 1.00 0.00 C ATOM 1661 CD1 PHE A 112 21.632 -0.730 -27.437 1.00 0.00 C ATOM 1662 CD2 PHE A 112 20.723 -0.098 -25.274 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.858 -1.045 -26.831 1.00 0.00 C ATOM 1664 CE2 PHE A 112 21.945 -0.434 -24.665 1.00 0.00 C ATOM 1665 CZ PHE A 112 23.014 -0.907 -25.443 1.00 0.00 C ATOM 0 H PHE A 112 19.427 -1.772 -28.982 1.00 0.00 H new ATOM 0 HA PHE A 112 18.213 -1.628 -26.469 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.418 0.449 -28.318 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.767 0.895 -26.753 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.513 -0.853 -28.503 1.00 0.00 H new ATOM 0 HD2 PHE A 112 19.909 0.281 -24.673 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.683 -1.394 -27.434 1.00 0.00 H new ATOM 0 HE2 PHE A 112 22.062 -0.328 -23.597 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.953 -1.164 -24.975 1.00 0.00 H new ATOM 1675 N ARG A 113 16.490 -0.028 -28.841 1.00 0.00 N ATOM 1676 CA ARG A 113 15.175 0.544 -29.203 1.00 0.00 C ATOM 1677 C ARG A 113 14.043 -0.498 -29.254 1.00 0.00 C ATOM 1678 O ARG A 113 12.879 -0.128 -29.115 1.00 0.00 O ATOM 1679 CB ARG A 113 15.294 1.343 -30.520 1.00 0.00 C ATOM 1680 CG ARG A 113 16.145 2.618 -30.357 1.00 0.00 C ATOM 1681 CD ARG A 113 16.139 3.461 -31.639 1.00 0.00 C ATOM 1682 NE ARG A 113 16.684 4.816 -31.403 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.623 5.454 -32.077 1.00 0.00 C ATOM 1684 NH1 ARG A 113 18.269 4.914 -33.072 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.922 6.676 -31.752 1.00 0.00 N ATOM 0 H ARG A 113 17.156 -0.028 -29.613 1.00 0.00 H new ATOM 0 HA ARG A 113 14.887 1.226 -28.403 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.737 0.709 -31.288 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.298 1.616 -30.868 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.760 3.211 -29.528 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.169 2.344 -30.104 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.728 2.960 -32.407 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.120 3.539 -32.019 1.00 0.00 H new ATOM 0 HE ARG A 113 16.281 5.324 -30.616 1.00 0.00 H new ATOM 0 HH11 ARG A 113 18.057 3.959 -33.360 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.987 5.447 -33.563 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.433 7.133 -30.983 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.646 7.178 -32.266 1.00 0.00 H new ATOM 1699 N THR A 114 14.371 -1.788 -29.363 1.00 0.00 N ATOM 1700 CA THR A 114 13.428 -2.914 -29.210 1.00 0.00 C ATOM 1701 C THR A 114 13.202 -3.261 -27.738 1.00 0.00 C ATOM 1702 O THR A 114 12.067 -3.250 -27.264 1.00 0.00 O ATOM 1703 CB THR A 114 13.904 -4.156 -29.992 1.00 0.00 C ATOM 1704 OG1 THR A 114 14.018 -3.847 -31.362 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.925 -5.332 -29.900 1.00 0.00 C ATOM 0 H THR A 114 15.323 -2.093 -29.565 1.00 0.00 H new ATOM 0 HA THR A 114 12.475 -2.593 -29.630 1.00 0.00 H new ATOM 0 HB THR A 114 14.857 -4.439 -29.546 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.814 -3.294 -31.508 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.315 -6.175 -30.470 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.804 -5.624 -28.857 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.959 -5.034 -30.308 1.00 0.00 H new ATOM 1713 N VAL A 115 14.274 -3.544 -26.985 1.00 0.00 N ATOM 1714 CA VAL A 115 14.202 -4.053 -25.598 1.00 0.00 C ATOM 1715 C VAL A 115 13.596 -3.022 -24.650 1.00 0.00 C ATOM 1716 O VAL A 115 12.861 -3.414 -23.750 1.00 0.00 O ATOM 1717 CB VAL A 115 15.574 -4.590 -25.122 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.553 -5.033 -23.654 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.002 -5.814 -25.947 1.00 0.00 C ATOM 0 H VAL A 115 15.230 -3.426 -27.321 1.00 0.00 H new ATOM 0 HA VAL A 115 13.522 -4.904 -25.587 1.00 0.00 H new ATOM 0 HB VAL A 115 16.271 -3.762 -25.249 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.539 -5.401 -23.371 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.287 -4.186 -23.022 1.00 0.00 H new ATOM 0 HG13 VAL A 115 14.818 -5.828 -23.524 1.00 0.00 H new ATOM 0 HG21 VAL A 115 16.969 -6.172 -25.593 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.260 -6.605 -25.837 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.081 -5.535 -26.998 1.00 0.00 H new ATOM 1729 N ARG A 116 13.751 -1.719 -24.907 1.00 0.00 N ATOM 1730 CA ARG A 116 13.097 -0.661 -24.105 1.00 0.00 C ATOM 1731 C ARG A 116 11.574 -0.812 -24.026 1.00 0.00 C ATOM 1732 O ARG A 116 11.004 -0.743 -22.945 1.00 0.00 O ATOM 1733 CB ARG A 116 13.550 0.719 -24.626 1.00 0.00 C ATOM 1734 CG ARG A 116 12.839 1.219 -25.888 1.00 0.00 C ATOM 1735 CD ARG A 116 13.446 2.537 -26.372 1.00 0.00 C ATOM 1736 NE ARG A 116 12.798 2.956 -27.633 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.140 3.978 -28.394 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.133 4.750 -28.085 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.510 4.235 -29.500 1.00 0.00 N ATOM 0 H ARG A 116 14.327 -1.362 -25.669 1.00 0.00 H new ATOM 0 HA ARG A 116 13.420 -0.762 -23.069 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.402 1.452 -23.833 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.621 0.678 -24.827 1.00 0.00 H new ATOM 0 HG2 ARG A 116 12.916 0.468 -26.675 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.778 1.357 -25.681 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.316 3.308 -25.612 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.519 2.419 -26.526 1.00 0.00 H new ATOM 0 HE ARG A 116 12.005 2.397 -27.947 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.671 4.574 -27.236 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.377 5.534 -28.690 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.735 3.642 -29.795 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.791 5.030 -30.074 1.00 0.00 H new ATOM 1753 N GLY A 117 10.925 -1.135 -25.146 1.00 0.00 N ATOM 1754 CA GLY A 117 9.474 -1.375 -25.196 1.00 0.00 C ATOM 1755 C GLY A 117 9.076 -2.696 -24.536 1.00 0.00 C ATOM 1756 O GLY A 117 8.046 -2.772 -23.872 1.00 0.00 O ATOM 0 H GLY A 117 11.388 -1.239 -26.049 1.00 0.00 H new ATOM 0 HA2 GLY A 117 8.956 -0.554 -24.700 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.145 -1.378 -26.235 1.00 0.00 H new ATOM 1760 N GLN A 118 9.948 -3.711 -24.611 1.00 0.00 N ATOM 1761 CA GLN A 118 9.735 -4.995 -23.925 1.00 0.00 C ATOM 1762 C GLN A 118 9.822 -4.838 -22.404 1.00 0.00 C ATOM 1763 O GLN A 118 9.003 -5.408 -21.683 1.00 0.00 O ATOM 1764 CB GLN A 118 10.724 -6.066 -24.437 1.00 0.00 C ATOM 1765 CG GLN A 118 10.749 -6.290 -25.959 1.00 0.00 C ATOM 1766 CD GLN A 118 9.363 -6.462 -26.577 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.698 -7.469 -26.392 1.00 0.00 O ATOM 1768 NE2 GLN A 118 8.877 -5.480 -27.314 1.00 0.00 N ATOM 0 H GLN A 118 10.816 -3.667 -25.145 1.00 0.00 H new ATOM 0 HA GLN A 118 8.726 -5.333 -24.159 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.728 -5.789 -24.114 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.484 -7.013 -23.954 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.246 -5.444 -26.434 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.347 -7.175 -26.177 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.430 -4.638 -27.470 1.00 0.00 H new ATOM 0 HE22 GLN A 118 7.948 -5.564 -27.727 1.00 0.00 H new ATOM 1777 N VAL A 119 10.752 -4.012 -21.918 1.00 0.00 N ATOM 1778 CA VAL A 119 10.834 -3.585 -20.508 1.00 0.00 C ATOM 1779 C VAL A 119 9.603 -2.764 -20.134 1.00 0.00 C ATOM 1780 O VAL A 119 8.964 -3.084 -19.139 1.00 0.00 O ATOM 1781 CB VAL A 119 12.132 -2.793 -20.253 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.198 -2.167 -18.857 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.357 -3.701 -20.376 1.00 0.00 C ATOM 0 H VAL A 119 11.486 -3.610 -22.501 1.00 0.00 H new ATOM 0 HA VAL A 119 10.858 -4.471 -19.874 1.00 0.00 H new ATOM 0 HB VAL A 119 12.130 -2.004 -21.005 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.137 -1.625 -18.745 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.364 -1.478 -18.727 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.140 -2.952 -18.103 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.261 -3.120 -20.192 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.288 -4.506 -19.644 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.396 -4.125 -21.379 1.00 0.00 H new ATOM 1793 N LYS A 120 9.223 -1.765 -20.939 1.00 0.00 N ATOM 1794 CA LYS A 120 8.055 -0.897 -20.684 1.00 0.00 C ATOM 1795 C LYS A 120 6.778 -1.702 -20.476 1.00 0.00 C ATOM 1796 O LYS A 120 6.124 -1.499 -19.468 1.00 0.00 O ATOM 1797 CB LYS A 120 7.928 0.140 -21.818 1.00 0.00 C ATOM 1798 CG LYS A 120 6.863 1.223 -21.557 1.00 0.00 C ATOM 1799 CD LYS A 120 5.497 0.940 -22.208 1.00 0.00 C ATOM 1800 CE LYS A 120 4.579 2.160 -22.022 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.232 1.945 -22.620 1.00 0.00 N ATOM 0 H LYS A 120 9.720 -1.529 -21.798 1.00 0.00 H new ATOM 0 HA LYS A 120 8.212 -0.360 -19.749 1.00 0.00 H new ATOM 0 HB2 LYS A 120 8.894 0.622 -21.966 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.685 -0.378 -22.746 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.725 1.328 -20.481 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.236 2.179 -21.925 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.625 0.726 -23.269 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.043 0.057 -21.757 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.473 2.374 -20.959 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.042 3.035 -22.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.772 2.864 -22.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.330 1.445 -23.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.651 1.375 -21.972 1.00 0.00 H new ATOM 1815 N GLU A 121 6.451 -2.663 -21.339 1.00 0.00 N ATOM 1816 CA GLU A 121 5.215 -3.463 -21.181 1.00 0.00 C ATOM 1817 C GLU A 121 5.285 -4.448 -20.001 1.00 0.00 C ATOM 1818 O GLU A 121 4.267 -4.758 -19.378 1.00 0.00 O ATOM 1819 CB GLU A 121 4.854 -4.167 -22.502 1.00 0.00 C ATOM 1820 CG GLU A 121 5.816 -5.296 -22.900 1.00 0.00 C ATOM 1821 CD GLU A 121 5.461 -5.999 -24.230 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.701 -5.449 -25.065 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.973 -7.125 -24.443 1.00 0.00 O ATOM 0 H GLU A 121 7.013 -2.913 -22.152 1.00 0.00 H new ATOM 0 HA GLU A 121 4.411 -2.769 -20.935 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.847 -4.576 -22.419 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.832 -3.426 -23.301 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.824 -4.888 -22.977 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.833 -6.040 -22.103 1.00 0.00 H new ATOM 1830 N ARG A 122 6.489 -4.917 -19.648 1.00 0.00 N ATOM 1831 CA ARG A 122 6.723 -5.771 -18.468 1.00 0.00 C ATOM 1832 C ARG A 122 6.540 -4.970 -17.178 1.00 0.00 C ATOM 1833 O ARG A 122 5.729 -5.357 -16.344 1.00 0.00 O ATOM 1834 CB ARG A 122 8.071 -6.503 -18.617 1.00 0.00 C ATOM 1835 CG ARG A 122 7.890 -7.676 -19.598 1.00 0.00 C ATOM 1836 CD ARG A 122 9.203 -8.233 -20.162 1.00 0.00 C ATOM 1837 NE ARG A 122 8.943 -9.241 -21.221 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.385 -9.046 -22.409 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.078 -7.859 -22.838 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.102 -10.039 -23.198 1.00 0.00 N ATOM 0 H ARG A 122 7.338 -4.715 -20.176 1.00 0.00 H new ATOM 0 HA ARG A 122 5.974 -6.560 -18.401 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.835 -5.817 -18.984 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.411 -6.869 -17.648 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.356 -8.480 -19.091 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.262 -7.348 -20.426 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.802 -7.419 -20.569 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.785 -8.686 -19.359 1.00 0.00 H new ATOM 0 HE ARG A 122 9.227 -10.198 -21.010 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.265 -7.042 -22.256 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.650 -7.744 -23.757 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.309 -10.995 -22.909 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.673 -9.862 -24.106 1.00 0.00 H new ATOM 1854 N VAL A 123 7.173 -3.800 -17.072 1.00 0.00 N ATOM 1855 CA VAL A 123 6.930 -2.810 -16.000 1.00 0.00 C ATOM 1856 C VAL A 123 5.452 -2.425 -15.922 1.00 0.00 C ATOM 1857 O VAL A 123 4.885 -2.470 -14.839 1.00 0.00 O ATOM 1858 CB VAL A 123 7.803 -1.571 -16.254 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.485 -0.385 -15.344 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.296 -1.885 -16.066 1.00 0.00 C ATOM 0 H VAL A 123 7.885 -3.500 -17.738 1.00 0.00 H new ATOM 0 HA VAL A 123 7.198 -3.254 -15.041 1.00 0.00 H new ATOM 0 HB VAL A 123 7.575 -1.297 -17.284 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.145 0.448 -15.588 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.448 -0.082 -15.491 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.635 -0.674 -14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.883 -0.986 -16.254 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.470 -2.226 -15.045 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.594 -2.666 -16.765 1.00 0.00 H new ATOM 1870 N GLU A 124 4.806 -2.074 -17.037 1.00 0.00 N ATOM 1871 CA GLU A 124 3.425 -1.604 -17.047 1.00 0.00 C ATOM 1872 C GLU A 124 2.441 -2.671 -16.569 1.00 0.00 C ATOM 1873 O GLU A 124 1.675 -2.409 -15.645 1.00 0.00 O ATOM 1874 CB GLU A 124 3.070 -1.129 -18.467 1.00 0.00 C ATOM 1875 CG GLU A 124 1.996 -0.057 -18.416 1.00 0.00 C ATOM 1876 CD GLU A 124 1.253 0.070 -19.758 1.00 0.00 C ATOM 1877 OE1 GLU A 124 1.899 0.399 -20.784 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.021 -0.165 -19.797 1.00 0.00 O ATOM 0 H GLU A 124 5.233 -2.109 -17.963 1.00 0.00 H new ATOM 0 HA GLU A 124 3.341 -0.775 -16.344 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.960 -0.737 -18.959 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.722 -1.973 -19.063 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.283 -0.294 -17.626 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.450 0.900 -18.159 1.00 0.00 H new ATOM 1885 N ASN A 125 2.484 -3.888 -17.130 1.00 0.00 N ATOM 1886 CA ASN A 125 1.540 -4.935 -16.724 1.00 0.00 C ATOM 1887 C ASN A 125 1.818 -5.443 -15.293 1.00 0.00 C ATOM 1888 O ASN A 125 0.873 -5.772 -14.575 1.00 0.00 O ATOM 1889 CB ASN A 125 1.447 -6.049 -17.787 1.00 0.00 C ATOM 1890 CG ASN A 125 2.336 -7.246 -17.499 1.00 0.00 C ATOM 1891 OD1 ASN A 125 1.955 -8.187 -16.822 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.558 -7.229 -17.971 1.00 0.00 N ATOM 0 H ASN A 125 3.149 -4.167 -17.852 1.00 0.00 H new ATOM 0 HA ASN A 125 0.544 -4.495 -16.673 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.413 -6.385 -17.858 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.715 -5.634 -18.759 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.192 -8.003 -17.773 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.875 -6.442 -18.537 1.00 0.00 H new ATOM 1899 N LEU A 126 3.084 -5.430 -14.847 1.00 0.00 N ATOM 1900 CA LEU A 126 3.455 -5.703 -13.457 1.00 0.00 C ATOM 1901 C LEU A 126 2.895 -4.632 -12.524 1.00 0.00 C ATOM 1902 O LEU A 126 2.249 -4.969 -11.536 1.00 0.00 O ATOM 1903 CB LEU A 126 4.986 -5.848 -13.348 1.00 0.00 C ATOM 1904 CG LEU A 126 5.593 -6.203 -11.974 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.710 -5.023 -11.008 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.831 -7.334 -11.285 1.00 0.00 C ATOM 0 H LEU A 126 3.882 -5.228 -15.449 1.00 0.00 H new ATOM 0 HA LEU A 126 3.012 -6.647 -13.139 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.298 -6.615 -14.057 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.433 -4.909 -13.676 1.00 0.00 H new ATOM 0 HG LEU A 126 6.606 -6.528 -12.213 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.146 -5.363 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.347 -4.255 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.720 -4.608 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.293 -7.550 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.795 -7.033 -11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.861 -8.226 -11.910 1.00 0.00 H new ATOM 1918 N ILE A 127 3.104 -3.344 -12.815 1.00 0.00 N ATOM 1919 CA ILE A 127 2.653 -2.306 -11.877 1.00 0.00 C ATOM 1920 C ILE A 127 1.119 -2.188 -11.880 1.00 0.00 C ATOM 1921 O ILE A 127 0.518 -2.090 -10.813 1.00 0.00 O ATOM 1922 CB ILE A 127 3.412 -0.990 -12.122 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.906 -1.239 -11.794 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.865 0.159 -11.257 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.847 -0.098 -12.174 1.00 0.00 C ATOM 0 H ILE A 127 3.564 -3.002 -13.658 1.00 0.00 H new ATOM 0 HA ILE A 127 2.905 -2.594 -10.856 1.00 0.00 H new ATOM 0 HB ILE A 127 3.283 -0.690 -13.162 1.00 0.00 H new ATOM 0 HG12 ILE A 127 5.001 -1.428 -10.725 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.230 -2.144 -12.308 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.429 1.069 -11.462 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.814 0.323 -11.493 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.964 -0.100 -10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.869 -0.365 -11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.788 0.080 -13.248 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.556 0.807 -11.640 1.00 0.00 H new ATOM 1937 N ALA A 128 0.469 -2.322 -13.041 1.00 0.00 N ATOM 1938 CA ALA A 128 -0.991 -2.254 -13.167 1.00 0.00 C ATOM 1939 C ALA A 128 -1.749 -3.362 -12.407 1.00 0.00 C ATOM 1940 O ALA A 128 -2.893 -3.140 -11.998 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.352 -2.263 -14.657 1.00 0.00 C ATOM 0 H ALA A 128 0.946 -2.482 -13.928 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.314 -1.327 -12.694 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.435 -2.213 -14.769 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.896 -1.403 -15.147 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.982 -3.180 -15.116 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.127 -4.534 -12.182 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.714 -5.614 -11.364 1.00 0.00 C ATOM 1949 C LYS A 129 -1.463 -5.476 -9.856 1.00 0.00 C ATOM 1950 O LYS A 129 -2.130 -6.174 -9.089 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.353 -7.013 -11.903 1.00 0.00 C ATOM 1952 CG LYS A 129 0.091 -7.465 -11.667 1.00 0.00 C ATOM 1953 CD LYS A 129 0.299 -8.887 -12.203 1.00 0.00 C ATOM 1954 CE LYS A 129 1.743 -9.342 -11.954 1.00 0.00 C ATOM 1955 NZ LYS A 129 1.958 -10.740 -12.422 1.00 0.00 N ATOM 0 H LYS A 129 -0.207 -4.760 -12.560 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.792 -5.498 -11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -2.022 -7.742 -11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.549 -7.030 -12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.779 -6.779 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.319 -7.434 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.395 -9.572 -11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.080 -8.917 -13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.432 -8.673 -12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.970 -9.273 -10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.977 -10.918 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.561 -11.404 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.486 -10.876 -13.339 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.551 -4.594 -9.419 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.260 -4.392 -7.980 1.00 0.00 C ATOM 1971 C ILE A 130 -0.757 -3.044 -7.427 1.00 0.00 C ATOM 1972 O ILE A 130 -1.036 -2.960 -6.228 1.00 0.00 O ATOM 1973 CB ILE A 130 1.224 -4.675 -7.642 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.182 -3.586 -8.165 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.626 -6.069 -8.159 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.655 -3.768 -7.775 1.00 0.00 C ATOM 0 H ILE A 130 0.003 -4.004 -10.040 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.851 -5.140 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 130 1.317 -4.656 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.112 -3.555 -9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.842 -2.618 -7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.672 -6.259 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.000 -6.827 -7.687 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.491 -6.109 -9.240 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.245 -2.951 -8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.747 -3.765 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.021 -4.717 -8.168 1.00 0.00 H new ATOM 1988 N SER A 131 -0.903 -2.016 -8.274 1.00 0.00 N ATOM 1989 CA SER A 131 -1.367 -0.662 -7.919 1.00 0.00 C ATOM 1990 C SER A 131 -2.507 -0.184 -8.831 1.00 0.00 C ATOM 1991 O SER A 131 -2.252 0.226 -9.987 1.00 0.00 O ATOM 1992 CB SER A 131 -0.204 0.326 -7.946 1.00 0.00 C ATOM 1993 OG SER A 131 0.686 0.011 -6.887 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.674 -0.223 -8.375 1.00 0.00 O ATOM 0 H SER A 131 -0.693 -2.106 -9.268 1.00 0.00 H new ATOM 0 HA SER A 131 -1.765 -0.710 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.314 0.273 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.572 1.346 -7.839 1.00 0.00 H new ATOM 0 HG SER A 131 1.252 0.787 -6.694 1.00 0.00 H new TER 2000 SER A 131