USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.0876 K(o=-1,f=-0.25) USER MOD Set 1.2: A 61 THR OG1 : rot -80:sc= 0.0275 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -1.12 K(o=-1,f=-2.6) USER MOD Set 1.4: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 ASN : amide:sc= -1.07! X(o=-0.39!,f=-0.02) USER MOD Set 2.2: A 75 GLN : amide:sc= 0.677 X(o=-0.39,f=-0.59) USER MOD Set 3.1: A 41 MET CE :methyl -173:sc= -0.177 (180deg=-0.417) USER MOD Set 3.2: A 71 MET CE :methyl 154:sc= -0.0135 (180deg=-0.386) USER MOD Single : A 23 MET CE :methyl 175:sc= -0.33 (180deg=-0.362) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 29 SER OG : rot 28:sc= 1.24 USER MOD Single : A 35 SER OG : rot -50:sc= 1.28 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.49) USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -97:sc= 1.17 USER MOD Single : A 93 GLN : amide:sc= 1.16 K(o=1.2,f=-0.033) USER MOD Single : A 95 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 80:sc= 1.2 USER MOD Single : A 110 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 111 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.4!) USER MOD Single : A 112 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00206 K(o=-0.0021,f=-1.4) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 30:sc= -0.0104 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 3.977 28.688 2.250 1.00 0.00 N ATOM 2 CA MET A 23 4.099 27.265 2.588 1.00 0.00 C ATOM 3 C MET A 23 3.839 26.446 1.313 1.00 0.00 C ATOM 4 O MET A 23 3.466 27.036 0.292 1.00 0.00 O ATOM 5 CB MET A 23 3.195 26.950 3.791 1.00 0.00 C ATOM 6 CG MET A 23 3.760 25.828 4.662 1.00 0.00 C ATOM 7 SD MET A 23 3.251 24.169 4.177 1.00 0.00 S ATOM 8 CE MET A 23 4.351 23.215 5.243 1.00 0.00 C ATOM 0 HA MET A 23 5.100 26.989 2.918 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.071 27.849 4.395 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.205 26.667 3.434 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.848 25.881 4.638 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.455 26.000 5.694 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.120 22.154 5.148 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.386 23.389 4.947 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.213 23.525 6.279 1.00 0.00 H new ATOM 20 N LYS A 24 4.080 25.128 1.286 1.00 0.00 N ATOM 21 CA LYS A 24 3.858 24.297 0.096 1.00 0.00 C ATOM 22 C LYS A 24 3.355 22.902 0.464 1.00 0.00 C ATOM 23 O LYS A 24 3.597 22.429 1.578 1.00 0.00 O ATOM 24 CB LYS A 24 5.124 24.259 -0.788 1.00 0.00 C ATOM 25 CG LYS A 24 6.405 23.721 -0.121 1.00 0.00 C ATOM 26 CD LYS A 24 6.939 22.442 -0.778 1.00 0.00 C ATOM 27 CE LYS A 24 7.459 22.681 -2.201 1.00 0.00 C ATOM 28 NZ LYS A 24 7.846 21.419 -2.861 1.00 0.00 N ATOM 0 H LYS A 24 4.434 24.608 2.089 1.00 0.00 H new ATOM 0 HA LYS A 24 3.066 24.756 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.911 23.647 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.323 25.269 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.177 24.490 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.203 23.523 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.742 22.032 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.146 21.694 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.689 23.179 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.318 23.352 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.192 21.621 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.598 20.956 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.020 20.789 -2.916 1.00 0.00 H new ATOM 42 N VAL A 25 2.672 22.244 -0.473 1.00 0.00 N ATOM 43 CA VAL A 25 2.146 20.882 -0.342 1.00 0.00 C ATOM 44 C VAL A 25 3.320 19.964 0.023 1.00 0.00 C ATOM 45 O VAL A 25 4.373 20.108 -0.602 1.00 0.00 O ATOM 46 CB VAL A 25 1.495 20.466 -1.684 1.00 0.00 C ATOM 47 CG1 VAL A 25 0.866 19.066 -1.633 1.00 0.00 C ATOM 48 CG2 VAL A 25 0.394 21.449 -2.121 1.00 0.00 C ATOM 0 H VAL A 25 2.461 22.660 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 25 1.385 20.815 0.435 1.00 0.00 H new ATOM 0 HB VAL A 25 2.316 20.471 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.426 18.830 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.634 18.330 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.091 19.043 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.035 21.118 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.386 21.483 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.823 22.444 -2.245 1.00 0.00 H new ATOM 58 N PRO A 26 3.207 19.042 0.996 1.00 0.00 N ATOM 59 CA PRO A 26 4.332 18.185 1.346 1.00 0.00 C ATOM 60 C PRO A 26 4.670 17.323 0.125 1.00 0.00 C ATOM 61 O PRO A 26 3.742 16.767 -0.466 1.00 0.00 O ATOM 62 CB PRO A 26 3.852 17.348 2.535 1.00 0.00 C ATOM 63 CG PRO A 26 2.343 17.262 2.326 1.00 0.00 C ATOM 64 CD PRO A 26 2.008 18.622 1.711 1.00 0.00 C ATOM 0 HA PRO A 26 5.236 18.729 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.313 16.360 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.099 17.822 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.073 16.440 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.813 17.101 3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.156 18.546 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.740 19.344 2.482 1.00 0.00 H new ATOM 72 N PRO A 27 5.937 17.199 -0.301 1.00 0.00 N ATOM 73 CA PRO A 27 6.270 16.294 -1.386 1.00 0.00 C ATOM 74 C PRO A 27 5.986 14.872 -0.910 1.00 0.00 C ATOM 75 O PRO A 27 6.460 14.461 0.151 1.00 0.00 O ATOM 76 CB PRO A 27 7.741 16.550 -1.707 1.00 0.00 C ATOM 77 CG PRO A 27 8.307 17.051 -0.381 1.00 0.00 C ATOM 78 CD PRO A 27 7.138 17.832 0.224 1.00 0.00 C ATOM 0 HA PRO A 27 5.685 16.444 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.244 15.643 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.857 17.290 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.617 16.227 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.181 17.685 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.160 17.791 1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.182 18.884 -0.056 1.00 0.00 H new ATOM 86 N HIS A 28 5.212 14.128 -1.688 1.00 0.00 N ATOM 87 CA HIS A 28 4.900 12.724 -1.473 1.00 0.00 C ATOM 88 C HIS A 28 5.062 12.020 -2.822 1.00 0.00 C ATOM 89 O HIS A 28 5.227 12.685 -3.852 1.00 0.00 O ATOM 90 CB HIS A 28 3.523 12.571 -0.803 1.00 0.00 C ATOM 91 CG HIS A 28 2.394 13.349 -1.439 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.131 14.685 -1.246 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.427 12.862 -2.271 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.036 15.005 -1.944 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.585 13.932 -2.616 1.00 0.00 N ATOM 0 H HIS A 28 4.765 14.505 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 28 5.580 12.243 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.256 11.514 -0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.610 12.879 0.239 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.678 15.323 -0.669 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.328 11.839 -2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.580 15.984 -1.965 1.00 0.00 H new ATOM 103 N SER A 29 5.039 10.691 -2.842 1.00 0.00 N ATOM 104 CA SER A 29 5.423 9.903 -4.006 1.00 0.00 C ATOM 105 C SER A 29 4.388 8.831 -4.338 1.00 0.00 C ATOM 106 O SER A 29 4.740 7.657 -4.422 1.00 0.00 O ATOM 107 CB SER A 29 6.849 9.366 -3.786 1.00 0.00 C ATOM 108 OG SER A 29 7.014 8.771 -2.507 1.00 0.00 O ATOM 0 H SER A 29 4.751 10.127 -2.043 1.00 0.00 H new ATOM 0 HA SER A 29 5.442 10.531 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.080 8.632 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.563 10.182 -3.898 1.00 0.00 H new ATOM 0 HG SER A 29 6.155 8.412 -2.200 1.00 0.00 H new ATOM 114 N ILE A 30 3.140 9.259 -4.578 1.00 0.00 N ATOM 115 CA ILE A 30 1.977 8.467 -4.985 1.00 0.00 C ATOM 116 C ILE A 30 2.435 7.245 -5.761 1.00 0.00 C ATOM 117 O ILE A 30 2.212 6.119 -5.341 1.00 0.00 O ATOM 118 CB ILE A 30 1.011 9.325 -5.861 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.501 10.605 -5.175 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.181 8.530 -6.441 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.521 10.350 -4.068 1.00 0.00 C ATOM 0 H ILE A 30 2.902 10.246 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 30 1.441 8.146 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 30 1.647 9.631 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.351 11.143 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.053 11.254 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.806 9.195 -7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.192 7.722 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.771 8.112 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.832 11.300 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.390 9.840 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.072 9.727 -3.294 1.00 0.00 H new ATOM 133 N GLU A 31 3.019 7.463 -6.928 1.00 0.00 N ATOM 134 CA GLU A 31 3.324 6.388 -7.847 1.00 0.00 C ATOM 135 C GLU A 31 4.388 5.429 -7.335 1.00 0.00 C ATOM 136 O GLU A 31 4.284 4.229 -7.589 1.00 0.00 O ATOM 137 CB GLU A 31 3.644 6.979 -9.208 1.00 0.00 C ATOM 138 CG GLU A 31 2.307 7.448 -9.798 1.00 0.00 C ATOM 139 CD GLU A 31 2.501 8.180 -11.124 1.00 0.00 C ATOM 140 OE1 GLU A 31 3.306 7.741 -11.981 1.00 0.00 O ATOM 141 OE2 GLU A 31 1.896 9.267 -11.270 1.00 0.00 O ATOM 0 H GLU A 31 3.293 8.388 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 31 2.442 5.755 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.342 7.811 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.115 6.237 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.654 6.588 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.807 8.107 -9.088 1.00 0.00 H new ATOM 148 N ALA A 32 5.410 5.921 -6.637 1.00 0.00 N ATOM 149 CA ALA A 32 6.387 5.054 -5.987 1.00 0.00 C ATOM 150 C ALA A 32 5.664 4.166 -4.976 1.00 0.00 C ATOM 151 O ALA A 32 5.825 2.950 -5.018 1.00 0.00 O ATOM 152 CB ALA A 32 7.506 5.858 -5.319 1.00 0.00 C ATOM 0 H ALA A 32 5.582 6.918 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 32 6.865 4.431 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.212 5.175 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.024 6.454 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.079 6.518 -4.564 1.00 0.00 H new ATOM 158 N GLU A 33 4.821 4.763 -4.131 1.00 0.00 N ATOM 159 CA GLU A 33 3.945 4.062 -3.203 1.00 0.00 C ATOM 160 C GLU A 33 3.102 3.008 -3.930 1.00 0.00 C ATOM 161 O GLU A 33 3.008 1.880 -3.448 1.00 0.00 O ATOM 162 CB GLU A 33 3.060 5.080 -2.452 1.00 0.00 C ATOM 163 CG GLU A 33 3.643 5.517 -1.108 1.00 0.00 C ATOM 164 CD GLU A 33 3.878 7.024 -1.020 1.00 0.00 C ATOM 165 OE1 GLU A 33 4.877 7.542 -1.556 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.069 7.713 -0.357 1.00 0.00 O ATOM 0 H GLU A 33 4.730 5.777 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 33 4.555 3.532 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.917 5.959 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.075 4.642 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.967 5.213 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.587 4.998 -0.942 1.00 0.00 H new ATOM 173 N GLN A 34 2.519 3.335 -5.086 1.00 0.00 N ATOM 174 CA GLN A 34 1.706 2.400 -5.856 1.00 0.00 C ATOM 175 C GLN A 34 2.531 1.192 -6.291 1.00 0.00 C ATOM 176 O GLN A 34 2.072 0.066 -6.122 1.00 0.00 O ATOM 177 CB GLN A 34 1.042 3.077 -7.067 1.00 0.00 C ATOM 178 CG GLN A 34 -0.053 4.019 -6.563 1.00 0.00 C ATOM 179 CD GLN A 34 -0.930 4.643 -7.636 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.495 4.915 -8.752 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.174 4.916 -7.288 1.00 0.00 N ATOM 0 H GLN A 34 2.600 4.258 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 34 0.906 2.052 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.783 3.632 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.617 2.326 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.692 3.468 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.417 4.820 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.506 4.678 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.803 5.365 -7.954 1.00 0.00 H new ATOM 190 N SER A 35 3.730 1.405 -6.832 1.00 0.00 N ATOM 191 CA SER A 35 4.603 0.317 -7.251 1.00 0.00 C ATOM 192 C SER A 35 5.172 -0.476 -6.071 1.00 0.00 C ATOM 193 O SER A 35 5.463 -1.658 -6.243 1.00 0.00 O ATOM 194 CB SER A 35 5.748 0.883 -8.085 1.00 0.00 C ATOM 195 OG SER A 35 5.279 1.497 -9.272 1.00 0.00 O ATOM 0 H SER A 35 4.120 2.334 -6.990 1.00 0.00 H new ATOM 0 HA SER A 35 4.001 -0.374 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.303 1.611 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.443 0.083 -8.340 1.00 0.00 H new ATOM 0 HG SER A 35 4.672 0.885 -9.739 1.00 0.00 H new ATOM 201 N VAL A 36 5.334 0.126 -4.889 1.00 0.00 N ATOM 202 CA VAL A 36 5.696 -0.609 -3.681 1.00 0.00 C ATOM 203 C VAL A 36 4.538 -1.528 -3.321 1.00 0.00 C ATOM 204 O VAL A 36 4.741 -2.732 -3.208 1.00 0.00 O ATOM 205 CB VAL A 36 6.081 0.354 -2.535 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.226 -0.339 -1.171 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.418 1.032 -2.844 1.00 0.00 C ATOM 0 H VAL A 36 5.218 1.129 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 36 6.582 -1.219 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 36 5.263 1.072 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.497 0.398 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.280 -0.807 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.004 -1.100 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.680 1.708 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.194 0.274 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.333 1.597 -3.772 1.00 0.00 H new ATOM 217 N LEU A 37 3.330 -0.981 -3.172 1.00 0.00 N ATOM 218 CA LEU A 37 2.155 -1.764 -2.812 1.00 0.00 C ATOM 219 C LEU A 37 1.926 -2.874 -3.830 1.00 0.00 C ATOM 220 O LEU A 37 1.742 -4.018 -3.434 1.00 0.00 O ATOM 221 CB LEU A 37 0.916 -0.870 -2.675 1.00 0.00 C ATOM 222 CG LEU A 37 0.970 0.083 -1.467 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.251 1.002 -1.495 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.021 -0.648 -0.122 1.00 0.00 C ATOM 0 H LEU A 37 3.143 0.014 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 37 2.333 -2.225 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.801 -0.282 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.031 -1.501 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 37 1.894 0.654 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.217 1.679 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.249 1.582 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.159 0.402 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.058 0.081 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.132 -1.269 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.910 -1.278 -0.084 1.00 0.00 H new ATOM 236 N GLY A 38 1.974 -2.567 -5.125 1.00 0.00 N ATOM 237 CA GLY A 38 1.912 -3.564 -6.179 1.00 0.00 C ATOM 238 C GLY A 38 2.991 -4.630 -5.993 1.00 0.00 C ATOM 239 O GLY A 38 2.684 -5.823 -5.977 1.00 0.00 O ATOM 0 H GLY A 38 2.058 -1.611 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.929 -4.034 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.037 -3.081 -7.148 1.00 0.00 H new ATOM 243 N GLY A 39 4.242 -4.208 -5.790 1.00 0.00 N ATOM 244 CA GLY A 39 5.373 -5.099 -5.617 1.00 0.00 C ATOM 245 C GLY A 39 5.223 -6.023 -4.415 1.00 0.00 C ATOM 246 O GLY A 39 5.712 -7.145 -4.466 1.00 0.00 O ATOM 0 H GLY A 39 4.493 -3.220 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.496 -5.700 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.281 -4.507 -5.502 1.00 0.00 H new ATOM 250 N LEU A 40 4.532 -5.600 -3.357 1.00 0.00 N ATOM 251 CA LEU A 40 4.264 -6.434 -2.190 1.00 0.00 C ATOM 252 C LEU A 40 3.309 -7.575 -2.537 1.00 0.00 C ATOM 253 O LEU A 40 3.492 -8.692 -2.055 1.00 0.00 O ATOM 254 CB LEU A 40 3.674 -5.575 -1.065 1.00 0.00 C ATOM 255 CG LEU A 40 4.682 -4.626 -0.396 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.921 -3.718 0.571 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.773 -5.407 0.334 1.00 0.00 C ATOM 0 H LEU A 40 4.140 -4.661 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 40 5.205 -6.872 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.851 -4.985 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.253 -6.233 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 40 5.177 -4.023 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.620 -3.036 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.176 -3.143 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.424 -4.326 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.471 -4.710 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.320 -6.032 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.307 -6.037 -0.377 1.00 0.00 H new ATOM 269 N MET A 41 2.306 -7.314 -3.379 1.00 0.00 N ATOM 270 CA MET A 41 1.421 -8.352 -3.910 1.00 0.00 C ATOM 271 C MET A 41 2.238 -9.304 -4.786 1.00 0.00 C ATOM 272 O MET A 41 1.992 -10.513 -4.807 1.00 0.00 O ATOM 273 CB MET A 41 0.285 -7.739 -4.755 1.00 0.00 C ATOM 274 CG MET A 41 -0.409 -6.538 -4.105 1.00 0.00 C ATOM 275 SD MET A 41 -1.535 -5.626 -5.192 1.00 0.00 S ATOM 276 CE MET A 41 -1.746 -4.093 -4.248 1.00 0.00 C ATOM 0 H MET A 41 2.085 -6.376 -3.712 1.00 0.00 H new ATOM 0 HA MET A 41 0.976 -8.888 -3.072 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.691 -7.431 -5.719 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.460 -8.510 -4.954 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.969 -6.887 -3.237 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.354 -5.851 -3.738 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.509 -3.476 -4.722 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.053 -4.332 -3.230 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.802 -3.548 -4.224 1.00 0.00 H new ATOM 286 N LEU A 42 3.176 -8.750 -5.557 1.00 0.00 N ATOM 287 CA LEU A 42 3.972 -9.469 -6.539 1.00 0.00 C ATOM 288 C LEU A 42 5.057 -10.342 -5.917 1.00 0.00 C ATOM 289 O LEU A 42 5.340 -11.413 -6.445 1.00 0.00 O ATOM 290 CB LEU A 42 4.564 -8.473 -7.555 1.00 0.00 C ATOM 291 CG LEU A 42 4.682 -9.080 -8.972 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.039 -8.182 -10.036 1.00 0.00 C ATOM 293 CD2 LEU A 42 6.150 -9.296 -9.345 1.00 0.00 C ATOM 0 H LEU A 42 3.405 -7.757 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 42 3.305 -10.160 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.937 -7.582 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.549 -8.154 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 42 4.154 -10.033 -8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.145 -8.647 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.981 -8.050 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.534 -7.211 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.212 -9.724 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.675 -8.341 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.611 -9.978 -8.630 1.00 0.00 H new ATOM 305 N ASP A 43 5.665 -9.905 -4.816 1.00 0.00 N ATOM 306 CA ASP A 43 6.854 -10.503 -4.207 1.00 0.00 C ATOM 307 C ASP A 43 6.866 -10.230 -2.713 1.00 0.00 C ATOM 308 O ASP A 43 7.584 -9.385 -2.175 1.00 0.00 O ATOM 309 CB ASP A 43 8.105 -10.006 -4.925 1.00 0.00 C ATOM 310 CG ASP A 43 9.402 -10.701 -4.504 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.378 -11.839 -3.972 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.486 -10.181 -4.860 1.00 0.00 O ATOM 0 H ASP A 43 5.330 -9.091 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 43 6.836 -11.587 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.969 -10.140 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.208 -8.935 -4.748 1.00 0.00 H new ATOM 317 N ASN A 44 6.047 -11.032 -2.044 1.00 0.00 N ATOM 318 CA ASN A 44 5.619 -10.957 -0.667 1.00 0.00 C ATOM 319 C ASN A 44 6.766 -10.883 0.335 1.00 0.00 C ATOM 320 O ASN A 44 6.616 -10.303 1.410 1.00 0.00 O ATOM 321 CB ASN A 44 4.845 -12.260 -0.428 1.00 0.00 C ATOM 322 CG ASN A 44 4.415 -12.380 1.010 1.00 0.00 C ATOM 323 OD1 ASN A 44 4.835 -13.268 1.736 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.585 -11.456 1.427 1.00 0.00 N ATOM 0 H ASN A 44 5.625 -11.835 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 44 5.038 -10.047 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.969 -12.290 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.470 -13.112 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.263 -11.459 2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.261 -10.734 0.784 1.00 0.00 H new ATOM 331 N GLU A 45 7.910 -11.470 0.011 1.00 0.00 N ATOM 332 CA GLU A 45 9.027 -11.568 0.949 1.00 0.00 C ATOM 333 C GLU A 45 9.780 -10.250 1.080 1.00 0.00 C ATOM 334 O GLU A 45 10.531 -10.058 2.039 1.00 0.00 O ATOM 335 CB GLU A 45 9.942 -12.712 0.533 1.00 0.00 C ATOM 336 CG GLU A 45 9.144 -14.022 0.483 1.00 0.00 C ATOM 337 CD GLU A 45 10.046 -15.199 0.177 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.741 -15.177 -0.865 1.00 0.00 O ATOM 339 OE2 GLU A 45 10.047 -16.171 0.964 1.00 0.00 O ATOM 0 H GLU A 45 8.092 -11.889 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 45 8.631 -11.785 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.379 -12.504 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.768 -12.805 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.643 -14.183 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.366 -13.949 -0.277 1.00 0.00 H new ATOM 346 N ARG A 46 9.539 -9.310 0.163 1.00 0.00 N ATOM 347 CA ARG A 46 10.017 -7.945 0.293 1.00 0.00 C ATOM 348 C ARG A 46 9.165 -7.151 1.283 1.00 0.00 C ATOM 349 O ARG A 46 9.548 -6.020 1.572 1.00 0.00 O ATOM 350 CB ARG A 46 10.071 -7.277 -1.091 1.00 0.00 C ATOM 351 CG ARG A 46 10.970 -7.998 -2.121 1.00 0.00 C ATOM 352 CD ARG A 46 12.471 -7.636 -2.059 1.00 0.00 C ATOM 353 NE ARG A 46 13.110 -7.963 -0.776 1.00 0.00 N ATOM 354 CZ ARG A 46 13.264 -9.178 -0.244 1.00 0.00 C ATOM 355 NH1 ARG A 46 13.040 -10.282 -0.943 1.00 0.00 N ATOM 356 NH2 ARG A 46 13.644 -9.255 1.016 1.00 0.00 N ATOM 0 H ARG A 46 9.005 -9.481 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 46 11.028 -7.961 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.059 -7.218 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.427 -6.254 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.867 -9.074 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.600 -7.773 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.994 -8.160 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.586 -6.569 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 46 13.474 -7.179 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.741 -10.218 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.167 -11.196 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.810 -8.403 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.772 -10.167 1.455 1.00 0.00 H new ATOM 370 N TRP A 47 8.081 -7.708 1.849 1.00 0.00 N ATOM 371 CA TRP A 47 7.344 -7.060 2.931 1.00 0.00 C ATOM 372 C TRP A 47 8.298 -6.642 4.039 1.00 0.00 C ATOM 373 O TRP A 47 8.269 -5.492 4.454 1.00 0.00 O ATOM 374 CB TRP A 47 6.212 -7.939 3.486 1.00 0.00 C ATOM 375 CG TRP A 47 5.525 -7.307 4.662 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.889 -7.459 5.958 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.488 -6.280 4.662 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.165 -6.589 6.747 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.328 -5.800 5.993 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.710 -5.661 3.664 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.483 -4.727 6.309 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.841 -4.597 3.970 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.734 -4.124 5.286 1.00 0.00 C ATOM 0 H TRP A 47 7.699 -8.611 1.568 1.00 0.00 H new ATOM 0 HA TRP A 47 6.870 -6.172 2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.482 -8.127 2.699 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.618 -8.906 3.782 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.632 -8.155 6.318 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.241 -6.537 7.763 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.782 -6.010 2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.409 -4.369 7.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.253 -4.142 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.077 -3.297 5.512 1.00 0.00 H new ATOM 394 N ASP A 48 9.179 -7.536 4.481 1.00 0.00 N ATOM 395 CA ASP A 48 10.116 -7.238 5.566 1.00 0.00 C ATOM 396 C ASP A 48 11.118 -6.159 5.198 1.00 0.00 C ATOM 397 O ASP A 48 11.644 -5.494 6.084 1.00 0.00 O ATOM 398 CB ASP A 48 10.878 -8.515 5.938 1.00 0.00 C ATOM 399 CG ASP A 48 10.376 -9.092 7.253 1.00 0.00 C ATOM 400 OD1 ASP A 48 10.860 -8.674 8.324 1.00 0.00 O ATOM 401 OD2 ASP A 48 9.495 -9.980 7.224 1.00 0.00 O ATOM 0 H ASP A 48 9.265 -8.479 4.103 1.00 0.00 H new ATOM 0 HA ASP A 48 9.529 -6.868 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.762 -9.255 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.943 -8.296 6.017 1.00 0.00 H new ATOM 406 N ASP A 49 11.421 -5.984 3.917 1.00 0.00 N ATOM 407 CA ASP A 49 12.354 -4.939 3.495 1.00 0.00 C ATOM 408 C ASP A 49 11.657 -3.595 3.493 1.00 0.00 C ATOM 409 O ASP A 49 12.219 -2.598 3.942 1.00 0.00 O ATOM 410 CB ASP A 49 12.913 -5.217 2.093 1.00 0.00 C ATOM 411 CG ASP A 49 14.323 -5.782 2.144 1.00 0.00 C ATOM 412 OD1 ASP A 49 15.170 -5.317 2.942 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.584 -6.722 1.365 1.00 0.00 O ATOM 0 H ASP A 49 11.039 -6.546 3.156 1.00 0.00 H new ATOM 0 HA ASP A 49 13.183 -4.930 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.260 -5.919 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.913 -4.294 1.513 1.00 0.00 H new ATOM 418 N VAL A 50 10.428 -3.588 2.986 1.00 0.00 N ATOM 419 CA VAL A 50 9.558 -2.439 2.909 1.00 0.00 C ATOM 420 C VAL A 50 9.144 -2.014 4.319 1.00 0.00 C ATOM 421 O VAL A 50 9.205 -0.827 4.589 1.00 0.00 O ATOM 422 CB VAL A 50 8.395 -2.806 1.972 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.283 -1.752 1.983 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.890 -2.945 0.519 1.00 0.00 C ATOM 0 H VAL A 50 9.999 -4.429 2.601 1.00 0.00 H new ATOM 0 HA VAL A 50 10.049 -1.563 2.486 1.00 0.00 H new ATOM 0 HB VAL A 50 7.997 -3.752 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.485 -2.057 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.884 -1.654 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.687 -0.793 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.052 -3.205 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.323 -2.000 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.646 -3.728 0.466 1.00 0.00 H new ATOM 434 N ALA A 51 8.802 -2.916 5.243 1.00 0.00 N ATOM 435 CA ALA A 51 8.496 -2.579 6.636 1.00 0.00 C ATOM 436 C ALA A 51 9.701 -1.916 7.320 1.00 0.00 C ATOM 437 O ALA A 51 9.566 -1.047 8.183 1.00 0.00 O ATOM 438 CB ALA A 51 8.075 -3.844 7.392 1.00 0.00 C ATOM 0 H ALA A 51 8.729 -3.913 5.042 1.00 0.00 H new ATOM 0 HA ALA A 51 7.673 -1.865 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.848 -3.590 8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.190 -4.272 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.887 -4.571 7.366 1.00 0.00 H new ATOM 444 N GLU A 52 10.904 -2.288 6.889 1.00 0.00 N ATOM 445 CA GLU A 52 12.171 -1.757 7.344 1.00 0.00 C ATOM 446 C GLU A 52 12.594 -0.503 6.560 1.00 0.00 C ATOM 447 O GLU A 52 13.689 0.036 6.756 1.00 0.00 O ATOM 448 CB GLU A 52 13.235 -2.865 7.380 1.00 0.00 C ATOM 449 CG GLU A 52 12.941 -3.907 8.479 1.00 0.00 C ATOM 450 CD GLU A 52 12.929 -3.306 9.884 1.00 0.00 C ATOM 451 OE1 GLU A 52 14.021 -3.033 10.436 1.00 0.00 O ATOM 452 OE2 GLU A 52 11.843 -3.116 10.478 1.00 0.00 O ATOM 0 H GLU A 52 11.019 -3.007 6.175 1.00 0.00 H new ATOM 0 HA GLU A 52 12.053 -1.408 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.276 -3.361 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.216 -2.422 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.976 -4.373 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.691 -4.696 8.434 1.00 0.00 H new ATOM 459 N ARG A 53 11.728 -0.007 5.676 1.00 0.00 N ATOM 460 CA ARG A 53 11.843 1.287 5.019 1.00 0.00 C ATOM 461 C ARG A 53 10.707 2.183 5.470 1.00 0.00 C ATOM 462 O ARG A 53 10.946 3.372 5.662 1.00 0.00 O ATOM 463 CB ARG A 53 11.855 1.148 3.486 1.00 0.00 C ATOM 464 CG ARG A 53 13.145 0.562 2.893 1.00 0.00 C ATOM 465 CD ARG A 53 14.356 1.489 3.052 1.00 0.00 C ATOM 466 NE ARG A 53 15.038 1.322 4.351 1.00 0.00 N ATOM 467 CZ ARG A 53 16.208 1.887 4.669 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.783 2.752 3.839 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.810 1.590 5.813 1.00 0.00 N ATOM 0 H ARG A 53 10.894 -0.520 5.389 1.00 0.00 H new ATOM 0 HA ARG A 53 12.794 1.736 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.018 0.517 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.686 2.131 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.359 -0.392 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.990 0.355 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.065 1.295 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.031 2.524 2.948 1.00 0.00 H new ATOM 0 HE ARG A 53 14.586 0.736 5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.332 2.988 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.675 3.180 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.381 0.926 6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.702 2.025 6.048 1.00 0.00 H new ATOM 483 N VAL A 54 9.508 1.657 5.668 1.00 0.00 N ATOM 484 CA VAL A 54 8.315 2.437 5.895 1.00 0.00 C ATOM 485 C VAL A 54 7.348 1.703 6.814 1.00 0.00 C ATOM 486 O VAL A 54 7.375 0.480 6.915 1.00 0.00 O ATOM 487 CB VAL A 54 7.645 2.724 4.543 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.383 3.809 3.760 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.448 1.520 3.609 1.00 0.00 C ATOM 0 H VAL A 54 9.340 0.651 5.674 1.00 0.00 H new ATOM 0 HA VAL A 54 8.589 3.373 6.381 1.00 0.00 H new ATOM 0 HB VAL A 54 6.650 3.052 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.876 3.981 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.392 4.733 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.408 3.488 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.966 1.849 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.417 1.079 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.821 0.777 4.101 1.00 0.00 H new ATOM 499 N VAL A 55 6.436 2.446 7.432 1.00 0.00 N ATOM 500 CA VAL A 55 5.325 1.919 8.219 1.00 0.00 C ATOM 501 C VAL A 55 4.025 2.542 7.701 1.00 0.00 C ATOM 502 O VAL A 55 4.075 3.475 6.901 1.00 0.00 O ATOM 503 CB VAL A 55 5.590 2.167 9.716 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.760 1.297 10.200 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.902 3.632 10.050 1.00 0.00 C ATOM 0 H VAL A 55 6.450 3.465 7.398 1.00 0.00 H new ATOM 0 HA VAL A 55 5.227 0.839 8.109 1.00 0.00 H new ATOM 0 HB VAL A 55 4.665 1.902 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.937 1.482 11.260 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.517 0.245 10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.657 1.546 9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.078 3.732 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.792 3.948 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.058 4.259 9.761 1.00 0.00 H new ATOM 515 N ALA A 56 2.851 2.060 8.134 1.00 0.00 N ATOM 516 CA ALA A 56 1.581 2.502 7.544 1.00 0.00 C ATOM 517 C ALA A 56 1.398 4.017 7.658 1.00 0.00 C ATOM 518 O ALA A 56 0.827 4.641 6.769 1.00 0.00 O ATOM 519 CB ALA A 56 0.387 1.798 8.197 1.00 0.00 C ATOM 0 H ALA A 56 2.755 1.373 8.881 1.00 0.00 H new ATOM 0 HA ALA A 56 1.621 2.233 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.537 2.148 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.478 0.721 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.370 2.024 9.263 1.00 0.00 H new ATOM 525 N ASP A 57 1.896 4.614 8.741 1.00 0.00 N ATOM 526 CA ASP A 57 1.787 6.047 8.999 1.00 0.00 C ATOM 527 C ASP A 57 2.503 6.894 7.944 1.00 0.00 C ATOM 528 O ASP A 57 2.181 8.071 7.794 1.00 0.00 O ATOM 529 CB ASP A 57 2.319 6.370 10.407 1.00 0.00 C ATOM 530 CG ASP A 57 1.185 6.772 11.347 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.253 5.956 11.558 1.00 0.00 O ATOM 532 OD2 ASP A 57 1.194 7.915 11.858 1.00 0.00 O ATOM 0 H ASP A 57 2.393 4.107 9.473 1.00 0.00 H new ATOM 0 HA ASP A 57 0.730 6.307 8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.839 5.501 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.048 7.178 10.347 1.00 0.00 H new ATOM 537 N ASP A 58 3.448 6.317 7.200 1.00 0.00 N ATOM 538 CA ASP A 58 4.214 6.999 6.163 1.00 0.00 C ATOM 539 C ASP A 58 3.413 7.118 4.865 1.00 0.00 C ATOM 540 O ASP A 58 3.772 7.898 3.981 1.00 0.00 O ATOM 541 CB ASP A 58 5.508 6.218 5.890 1.00 0.00 C ATOM 542 CG ASP A 58 6.484 6.211 7.066 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.478 7.152 7.896 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.308 5.278 7.149 1.00 0.00 O ATOM 0 H ASP A 58 3.706 5.336 7.307 1.00 0.00 H new ATOM 0 HA ASP A 58 4.445 8.004 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.253 5.189 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.005 6.648 5.020 1.00 0.00 H new ATOM 549 N PHE A 59 2.325 6.355 4.723 1.00 0.00 N ATOM 550 CA PHE A 59 1.487 6.359 3.544 1.00 0.00 C ATOM 551 C PHE A 59 0.403 7.415 3.750 1.00 0.00 C ATOM 552 O PHE A 59 -0.685 7.116 4.242 1.00 0.00 O ATOM 553 CB PHE A 59 0.921 4.952 3.278 1.00 0.00 C ATOM 554 CG PHE A 59 1.953 3.943 2.794 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.881 3.409 3.702 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.012 3.545 1.444 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.867 2.507 3.271 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.992 2.636 1.007 1.00 0.00 C ATOM 559 CZ PHE A 59 3.926 2.120 1.920 1.00 0.00 C ATOM 0 H PHE A 59 2.005 5.709 5.444 1.00 0.00 H new ATOM 0 HA PHE A 59 2.058 6.617 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.466 4.577 4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.127 5.027 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.836 3.695 4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.298 3.942 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.581 2.110 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.026 2.335 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.686 1.429 1.586 1.00 0.00 H new ATOM 569 N TYR A 60 0.685 8.666 3.379 1.00 0.00 N ATOM 570 CA TYR A 60 -0.267 9.767 3.461 1.00 0.00 C ATOM 571 C TYR A 60 -1.507 9.512 2.610 1.00 0.00 C ATOM 572 O TYR A 60 -2.599 9.986 2.941 1.00 0.00 O ATOM 573 CB TYR A 60 0.375 11.075 2.984 1.00 0.00 C ATOM 574 CG TYR A 60 -0.571 12.248 3.150 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.787 12.741 4.446 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.309 12.768 2.064 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.689 13.791 4.668 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.222 13.819 2.285 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.396 14.352 3.584 1.00 0.00 C ATOM 580 OH TYR A 60 -3.224 15.413 3.791 1.00 0.00 O ATOM 0 H TYR A 60 1.594 8.942 3.009 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.560 9.845 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.289 11.260 3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.660 10.981 1.936 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.254 12.308 5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.175 12.363 1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.842 14.170 5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.791 14.219 1.459 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.633 15.679 2.941 1.00 0.00 H new ATOM 590 N THR A 61 -1.353 8.786 1.508 1.00 0.00 N ATOM 591 CA THR A 61 -2.429 8.587 0.565 1.00 0.00 C ATOM 592 C THR A 61 -3.442 7.607 1.152 1.00 0.00 C ATOM 593 O THR A 61 -3.114 6.451 1.407 1.00 0.00 O ATOM 594 CB THR A 61 -1.912 8.169 -0.805 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.514 8.335 -0.970 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.580 9.016 -1.871 1.00 0.00 C ATOM 0 H THR A 61 -0.481 8.324 1.251 1.00 0.00 H new ATOM 0 HA THR A 61 -2.941 9.534 0.398 1.00 0.00 H new ATOM 0 HB THR A 61 -2.143 7.107 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.317 9.274 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.213 8.720 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.659 8.870 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.349 10.067 -1.698 1.00 0.00 H new ATOM 604 N ARG A 62 -4.671 8.070 1.380 1.00 0.00 N ATOM 605 CA ARG A 62 -5.741 7.331 2.050 1.00 0.00 C ATOM 606 C ARG A 62 -5.888 5.873 1.579 1.00 0.00 C ATOM 607 O ARG A 62 -5.779 4.985 2.427 1.00 0.00 O ATOM 608 CB ARG A 62 -7.040 8.150 1.949 1.00 0.00 C ATOM 609 CG ARG A 62 -7.851 8.156 3.253 1.00 0.00 C ATOM 610 CD ARG A 62 -8.826 9.346 3.276 1.00 0.00 C ATOM 611 NE ARG A 62 -8.114 10.635 3.364 1.00 0.00 N ATOM 612 CZ ARG A 62 -7.514 11.130 4.454 1.00 0.00 C ATOM 613 NH1 ARG A 62 -7.702 10.579 5.650 1.00 0.00 N ATOM 614 NH2 ARG A 62 -6.702 12.169 4.345 1.00 0.00 N ATOM 0 H ARG A 62 -4.959 9.005 1.092 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.477 7.217 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.795 9.176 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.656 7.745 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.405 7.222 3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.177 8.214 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.440 9.330 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.502 9.246 4.125 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.075 11.201 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.311 9.767 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.237 10.969 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.534 12.591 3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.244 12.548 5.174 1.00 0.00 H new ATOM 628 N PRO A 63 -6.072 5.571 0.277 1.00 0.00 N ATOM 629 CA PRO A 63 -6.216 4.191 -0.174 1.00 0.00 C ATOM 630 C PRO A 63 -4.912 3.415 -0.013 1.00 0.00 C ATOM 631 O PRO A 63 -4.943 2.230 0.303 1.00 0.00 O ATOM 632 CB PRO A 63 -6.641 4.279 -1.642 1.00 0.00 C ATOM 633 CG PRO A 63 -6.057 5.608 -2.104 1.00 0.00 C ATOM 634 CD PRO A 63 -6.216 6.473 -0.857 1.00 0.00 C ATOM 0 HA PRO A 63 -6.953 3.651 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.249 3.445 -2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.726 4.259 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.014 5.513 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.598 6.018 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.462 7.259 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.189 6.964 -0.844 1.00 0.00 H new ATOM 642 N HIS A 64 -3.761 4.062 -0.196 1.00 0.00 N ATOM 643 CA HIS A 64 -2.475 3.410 -0.026 1.00 0.00 C ATOM 644 C HIS A 64 -2.291 2.987 1.443 1.00 0.00 C ATOM 645 O HIS A 64 -1.843 1.873 1.704 1.00 0.00 O ATOM 646 CB HIS A 64 -1.342 4.334 -0.497 1.00 0.00 C ATOM 647 CG HIS A 64 -1.349 4.795 -1.940 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.410 5.645 -2.486 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.206 4.433 -2.946 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.682 5.782 -3.800 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.779 5.074 -4.113 1.00 0.00 N ATOM 0 H HIS A 64 -3.700 5.044 -0.464 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.442 2.511 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.351 5.221 0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.397 3.822 -0.315 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.357 6.092 -1.984 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.056 3.773 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.104 6.372 -4.496 1.00 0.00 H new ATOM 659 N ARG A 65 -2.687 3.830 2.404 1.00 0.00 N ATOM 660 CA ARG A 65 -2.727 3.507 3.829 1.00 0.00 C ATOM 661 C ARG A 65 -3.622 2.332 4.133 1.00 0.00 C ATOM 662 O ARG A 65 -3.189 1.423 4.835 1.00 0.00 O ATOM 663 CB ARG A 65 -3.159 4.730 4.653 1.00 0.00 C ATOM 664 CG ARG A 65 -2.458 4.710 6.019 1.00 0.00 C ATOM 665 CD ARG A 65 -2.484 6.030 6.791 1.00 0.00 C ATOM 666 NE ARG A 65 -3.761 6.765 6.672 1.00 0.00 N ATOM 667 CZ ARG A 65 -3.920 7.906 5.984 1.00 0.00 C ATOM 668 NH1 ARG A 65 -2.933 8.400 5.255 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.064 8.572 5.997 1.00 0.00 N ATOM 0 H ARG A 65 -2.996 4.781 2.203 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.714 3.223 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.909 5.647 4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.241 4.725 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.922 3.940 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.419 4.416 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.288 5.828 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.675 6.666 6.433 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.577 6.378 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.038 7.913 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.067 9.268 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.853 8.220 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.157 9.437 5.464 1.00 0.00 H new ATOM 683 N HIS A 66 -4.859 2.360 3.643 1.00 0.00 N ATOM 684 CA HIS A 66 -5.781 1.244 3.768 1.00 0.00 C ATOM 685 C HIS A 66 -5.120 -0.054 3.323 1.00 0.00 C ATOM 686 O HIS A 66 -5.060 -1.006 4.098 1.00 0.00 O ATOM 687 CB HIS A 66 -7.026 1.513 2.919 1.00 0.00 C ATOM 688 CG HIS A 66 -8.017 2.455 3.531 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.597 3.568 2.968 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.670 2.198 4.694 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.577 3.969 3.790 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.644 3.185 4.881 1.00 0.00 N ATOM 0 H HIS A 66 -5.247 3.162 3.147 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.067 1.141 4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.711 1.916 1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.524 0.564 2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.471 1.372 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.227 4.811 3.601 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.273 3.288 5.677 1.00 0.00 H new ATOM 700 N ILE A 67 -4.608 -0.076 2.094 1.00 0.00 N ATOM 701 CA ILE A 67 -3.981 -1.240 1.492 1.00 0.00 C ATOM 702 C ILE A 67 -2.823 -1.690 2.384 1.00 0.00 C ATOM 703 O ILE A 67 -2.826 -2.841 2.809 1.00 0.00 O ATOM 704 CB ILE A 67 -3.620 -0.906 0.026 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.940 -0.748 -0.771 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.733 -1.964 -0.653 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.765 -0.064 -2.126 1.00 0.00 C ATOM 0 H ILE A 67 -4.620 0.737 1.478 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.647 -2.101 1.433 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.036 0.014 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.380 -1.733 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.648 -0.173 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.523 -1.659 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.796 -2.060 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.250 -2.923 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.732 0.010 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.355 0.935 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.083 -0.649 -2.743 1.00 0.00 H new ATOM 719 N PHE A 68 -1.886 -0.806 2.743 1.00 0.00 N ATOM 720 CA PHE A 68 -0.759 -1.163 3.603 1.00 0.00 C ATOM 721 C PHE A 68 -1.225 -1.708 4.959 1.00 0.00 C ATOM 722 O PHE A 68 -0.616 -2.638 5.477 1.00 0.00 O ATOM 723 CB PHE A 68 0.173 0.044 3.799 1.00 0.00 C ATOM 724 CG PHE A 68 1.539 -0.319 4.358 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.727 -0.486 5.743 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.633 -0.502 3.492 1.00 0.00 C ATOM 727 CE1 PHE A 68 2.998 -0.785 6.264 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.904 -0.805 4.009 1.00 0.00 C ATOM 729 CZ PHE A 68 4.094 -0.934 5.395 1.00 0.00 C ATOM 0 H PHE A 68 -1.889 0.170 2.447 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.206 -1.958 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.305 0.548 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.306 0.756 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.886 -0.383 6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.495 -0.409 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.133 -0.900 7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.739 -0.939 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.076 -1.146 5.791 1.00 0.00 H new ATOM 739 N THR A 69 -2.292 -1.157 5.545 1.00 0.00 N ATOM 740 CA THR A 69 -2.812 -1.616 6.828 1.00 0.00 C ATOM 741 C THR A 69 -3.343 -3.038 6.687 1.00 0.00 C ATOM 742 O THR A 69 -3.017 -3.896 7.505 1.00 0.00 O ATOM 743 CB THR A 69 -3.897 -0.644 7.322 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.371 0.671 7.386 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.435 -1.009 8.709 1.00 0.00 C ATOM 0 H THR A 69 -2.816 -0.381 5.141 1.00 0.00 H new ATOM 0 HA THR A 69 -2.015 -1.632 7.572 1.00 0.00 H new ATOM 0 HB THR A 69 -4.719 -0.709 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.224 1.009 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.197 -0.288 9.005 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.872 -2.007 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.619 -0.992 9.432 1.00 0.00 H new ATOM 753 N GLU A 70 -4.154 -3.296 5.664 1.00 0.00 N ATOM 754 CA GLU A 70 -4.745 -4.604 5.462 1.00 0.00 C ATOM 755 C GLU A 70 -3.657 -5.626 5.098 1.00 0.00 C ATOM 756 O GLU A 70 -3.719 -6.767 5.551 1.00 0.00 O ATOM 757 CB GLU A 70 -5.852 -4.487 4.402 1.00 0.00 C ATOM 758 CG GLU A 70 -6.849 -5.648 4.506 1.00 0.00 C ATOM 759 CD GLU A 70 -7.812 -5.488 5.686 1.00 0.00 C ATOM 760 OE1 GLU A 70 -8.328 -4.368 5.921 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.039 -6.497 6.392 1.00 0.00 O ATOM 0 H GLU A 70 -4.415 -2.606 4.960 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.206 -4.969 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.378 -3.541 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.406 -4.476 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.421 -5.716 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.302 -6.585 4.612 1.00 0.00 H new ATOM 768 N MET A 71 -2.622 -5.213 4.355 1.00 0.00 N ATOM 769 CA MET A 71 -1.451 -6.031 4.056 1.00 0.00 C ATOM 770 C MET A 71 -0.754 -6.408 5.357 1.00 0.00 C ATOM 771 O MET A 71 -0.584 -7.594 5.632 1.00 0.00 O ATOM 772 CB MET A 71 -0.466 -5.300 3.133 1.00 0.00 C ATOM 773 CG MET A 71 -0.943 -5.206 1.686 1.00 0.00 C ATOM 774 SD MET A 71 0.253 -4.441 0.570 1.00 0.00 S ATOM 775 CE MET A 71 -0.472 -5.011 -0.982 1.00 0.00 C ATOM 0 H MET A 71 -2.579 -4.282 3.939 1.00 0.00 H new ATOM 0 HA MET A 71 -1.788 -6.928 3.536 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.298 -4.294 3.518 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.494 -5.816 3.158 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.174 -6.208 1.324 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.871 -4.634 1.656 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.206 -4.321 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.092 -6.005 -1.218 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.557 -5.052 -0.884 1.00 0.00 H new ATOM 785 N ALA A 72 -0.379 -5.410 6.164 1.00 0.00 N ATOM 786 CA ALA A 72 0.308 -5.613 7.428 1.00 0.00 C ATOM 787 C ALA A 72 -0.488 -6.567 8.312 1.00 0.00 C ATOM 788 O ALA A 72 0.089 -7.483 8.899 1.00 0.00 O ATOM 789 CB ALA A 72 0.519 -4.269 8.138 1.00 0.00 C ATOM 0 H ALA A 72 -0.550 -4.428 5.948 1.00 0.00 H new ATOM 0 HA ALA A 72 1.284 -6.057 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.035 -4.434 9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.120 -3.614 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.448 -3.802 8.328 1.00 0.00 H new ATOM 795 N ARG A 73 -1.807 -6.367 8.391 1.00 0.00 N ATOM 796 CA ARG A 73 -2.714 -7.185 9.186 1.00 0.00 C ATOM 797 C ARG A 73 -2.777 -8.619 8.690 1.00 0.00 C ATOM 798 O ARG A 73 -2.725 -9.525 9.522 1.00 0.00 O ATOM 799 CB ARG A 73 -4.113 -6.544 9.181 1.00 0.00 C ATOM 800 CG ARG A 73 -4.172 -5.353 10.147 1.00 0.00 C ATOM 801 CD ARG A 73 -4.432 -5.847 11.578 1.00 0.00 C ATOM 802 NE ARG A 73 -5.867 -5.887 11.879 1.00 0.00 N ATOM 803 CZ ARG A 73 -6.606 -4.853 12.289 1.00 0.00 C ATOM 804 NH1 ARG A 73 -6.045 -3.668 12.518 1.00 0.00 N ATOM 805 NH2 ARG A 73 -7.911 -5.029 12.453 1.00 0.00 N ATOM 0 H ARG A 73 -2.280 -5.614 7.891 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.332 -7.224 10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.362 -6.213 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.859 -7.286 9.466 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.235 -4.798 10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.961 -4.666 9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.005 -6.842 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.928 -5.191 12.288 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.342 -6.783 11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.042 -3.543 12.381 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.618 -2.884 12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.330 -5.940 12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.495 -4.253 12.765 1.00 0.00 H new ATOM 819 N LEU A 74 -2.923 -8.851 7.388 1.00 0.00 N ATOM 820 CA LEU A 74 -2.957 -10.190 6.834 1.00 0.00 C ATOM 821 C LEU A 74 -1.630 -10.880 7.089 1.00 0.00 C ATOM 822 O LEU A 74 -1.610 -11.997 7.599 1.00 0.00 O ATOM 823 CB LEU A 74 -3.262 -10.099 5.332 1.00 0.00 C ATOM 824 CG LEU A 74 -4.761 -9.972 5.006 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.918 -9.756 3.503 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.590 -11.210 5.382 1.00 0.00 C ATOM 0 H LEU A 74 -3.021 -8.112 6.692 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.739 -10.780 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.736 -9.240 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.866 -10.986 4.837 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.132 -9.135 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.976 -9.664 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.397 -8.845 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.493 -10.605 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.635 -11.041 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.215 -12.077 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.509 -11.391 6.454 1.00 0.00 H new ATOM 838 N GLN A 75 -0.518 -10.216 6.793 1.00 0.00 N ATOM 839 CA GLN A 75 0.805 -10.787 6.959 1.00 0.00 C ATOM 840 C GLN A 75 1.066 -11.141 8.413 1.00 0.00 C ATOM 841 O GLN A 75 1.556 -12.235 8.686 1.00 0.00 O ATOM 842 CB GLN A 75 1.817 -9.757 6.437 1.00 0.00 C ATOM 843 CG GLN A 75 3.261 -10.243 6.271 1.00 0.00 C ATOM 844 CD GLN A 75 3.481 -11.359 5.246 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.773 -11.504 4.249 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.500 -12.172 5.470 1.00 0.00 N ATOM 0 H GLN A 75 -0.514 -9.263 6.430 1.00 0.00 H new ATOM 0 HA GLN A 75 0.896 -11.716 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.466 -9.393 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.819 -8.905 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.880 -9.391 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.620 -10.591 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.081 -12.045 6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.704 -12.926 4.814 1.00 0.00 H new ATOM 855 N GLU A 76 0.659 -10.260 9.324 1.00 0.00 N ATOM 856 CA GLU A 76 0.670 -10.475 10.770 1.00 0.00 C ATOM 857 C GLU A 76 -0.117 -11.730 11.155 1.00 0.00 C ATOM 858 O GLU A 76 0.301 -12.474 12.049 1.00 0.00 O ATOM 859 CB GLU A 76 0.107 -9.210 11.442 1.00 0.00 C ATOM 860 CG GLU A 76 -0.326 -9.305 12.909 1.00 0.00 C ATOM 861 CD GLU A 76 0.823 -9.128 13.890 1.00 0.00 C ATOM 862 OE1 GLU A 76 1.761 -9.956 13.908 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.775 -8.156 14.677 1.00 0.00 O ATOM 0 H GLU A 76 0.299 -9.341 9.066 1.00 0.00 H new ATOM 0 HA GLU A 76 1.689 -10.646 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.863 -8.428 11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.754 -8.878 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.083 -8.546 13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.794 -10.274 13.080 1.00 0.00 H new ATOM 870 N SER A 77 -1.226 -12.008 10.472 1.00 0.00 N ATOM 871 CA SER A 77 -2.004 -13.216 10.700 1.00 0.00 C ATOM 872 C SER A 77 -1.460 -14.426 9.936 1.00 0.00 C ATOM 873 O SER A 77 -2.068 -15.495 10.010 1.00 0.00 O ATOM 874 CB SER A 77 -3.474 -12.962 10.417 1.00 0.00 C ATOM 875 OG SER A 77 -4.072 -12.287 11.513 1.00 0.00 O ATOM 0 H SER A 77 -1.607 -11.401 9.747 1.00 0.00 H new ATOM 0 HA SER A 77 -1.906 -13.475 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.580 -12.366 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.987 -13.907 10.238 1.00 0.00 H new ATOM 0 HG SER A 77 -5.019 -12.126 11.321 1.00 0.00 H new ATOM 881 N GLY A 78 -0.310 -14.320 9.263 1.00 0.00 N ATOM 882 CA GLY A 78 0.215 -15.468 8.541 1.00 0.00 C ATOM 883 C GLY A 78 -0.636 -15.740 7.303 1.00 0.00 C ATOM 884 O GLY A 78 -0.763 -16.893 6.881 1.00 0.00 O ATOM 0 H GLY A 78 0.257 -13.474 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.248 -15.282 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.220 -16.344 9.189 1.00 0.00 H new ATOM 888 N SER A 79 -1.265 -14.702 6.755 1.00 0.00 N ATOM 889 CA SER A 79 -2.024 -14.750 5.521 1.00 0.00 C ATOM 890 C SER A 79 -1.143 -14.116 4.437 1.00 0.00 C ATOM 891 O SER A 79 -0.252 -13.323 4.772 1.00 0.00 O ATOM 892 CB SER A 79 -3.333 -13.962 5.699 1.00 0.00 C ATOM 893 OG SER A 79 -3.992 -14.191 6.939 1.00 0.00 O ATOM 0 H SER A 79 -1.256 -13.774 7.179 1.00 0.00 H new ATOM 0 HA SER A 79 -2.287 -15.771 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.118 -12.897 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.012 -14.221 4.887 1.00 0.00 H new ATOM 0 HG SER A 79 -4.812 -13.655 6.978 1.00 0.00 H new ATOM 899 N PRO A 80 -1.369 -14.413 3.151 1.00 0.00 N ATOM 900 CA PRO A 80 -0.687 -13.707 2.083 1.00 0.00 C ATOM 901 C PRO A 80 -1.274 -12.312 1.930 1.00 0.00 C ATOM 902 O PRO A 80 -2.432 -12.060 2.269 1.00 0.00 O ATOM 903 CB PRO A 80 -0.945 -14.524 0.821 1.00 0.00 C ATOM 904 CG PRO A 80 -2.318 -15.130 1.096 1.00 0.00 C ATOM 905 CD PRO A 80 -2.304 -15.385 2.606 1.00 0.00 C ATOM 0 HA PRO A 80 0.379 -13.598 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.948 -13.900 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.185 -15.291 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.121 -14.449 0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.469 -16.052 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.298 -15.258 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.987 -16.404 2.830 1.00 0.00 H new ATOM 913 N ILE A 81 -0.506 -11.453 1.272 1.00 0.00 N ATOM 914 CA ILE A 81 -0.951 -10.145 0.811 1.00 0.00 C ATOM 915 C ILE A 81 -1.242 -10.220 -0.695 1.00 0.00 C ATOM 916 O ILE A 81 -1.062 -9.244 -1.423 1.00 0.00 O ATOM 917 CB ILE A 81 0.037 -9.053 1.279 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.393 -9.100 0.544 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.162 -9.133 2.818 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.534 -8.365 1.260 1.00 0.00 C ATOM 0 H ILE A 81 0.467 -11.652 1.039 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.896 -9.844 1.263 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.360 -8.074 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.680 -10.142 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.268 -8.669 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.856 -8.369 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.816 -8.969 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.534 -10.118 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.448 -8.451 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.274 -7.313 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.692 -8.809 2.243 1.00 0.00 H new ATOM 932 N ASP A 82 -1.698 -11.389 -1.166 1.00 0.00 N ATOM 933 CA ASP A 82 -2.176 -11.586 -2.536 1.00 0.00 C ATOM 934 C ASP A 82 -3.420 -10.731 -2.802 1.00 0.00 C ATOM 935 O ASP A 82 -4.077 -10.262 -1.866 1.00 0.00 O ATOM 936 CB ASP A 82 -2.491 -13.068 -2.793 1.00 0.00 C ATOM 937 CG ASP A 82 -2.190 -13.465 -4.238 1.00 0.00 C ATOM 938 OD1 ASP A 82 -2.967 -13.082 -5.141 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.160 -14.146 -4.467 1.00 0.00 O ATOM 0 H ASP A 82 -1.745 -12.234 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.385 -11.274 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.904 -13.688 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.541 -13.261 -2.573 1.00 0.00 H new ATOM 944 N LEU A 83 -3.748 -10.518 -4.076 1.00 0.00 N ATOM 945 CA LEU A 83 -4.749 -9.560 -4.544 1.00 0.00 C ATOM 946 C LEU A 83 -6.093 -9.820 -3.900 1.00 0.00 C ATOM 947 O LEU A 83 -6.582 -9.008 -3.118 1.00 0.00 O ATOM 948 CB LEU A 83 -4.802 -9.618 -6.090 1.00 0.00 C ATOM 949 CG LEU A 83 -5.284 -8.346 -6.808 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.576 -7.734 -6.272 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.197 -7.282 -6.751 1.00 0.00 C ATOM 0 H LEU A 83 -3.306 -11.028 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.470 -8.549 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.804 -9.860 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.456 -10.441 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.500 -8.671 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.824 -6.843 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.385 -8.459 -6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.443 -7.462 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.542 -6.382 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.973 -7.047 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.297 -7.654 -7.241 1.00 0.00 H new ATOM 963 N ILE A 84 -6.694 -10.961 -4.208 1.00 0.00 N ATOM 964 CA ILE A 84 -8.022 -11.305 -3.793 1.00 0.00 C ATOM 965 C ILE A 84 -8.072 -11.428 -2.276 1.00 0.00 C ATOM 966 O ILE A 84 -9.042 -11.013 -1.663 1.00 0.00 O ATOM 967 CB ILE A 84 -8.402 -12.607 -4.512 1.00 0.00 C ATOM 968 CG1 ILE A 84 -7.865 -12.666 -5.962 1.00 0.00 C ATOM 969 CG2 ILE A 84 -9.927 -12.763 -4.507 1.00 0.00 C ATOM 970 CD1 ILE A 84 -6.545 -13.437 -6.080 1.00 0.00 C ATOM 0 H ILE A 84 -6.247 -11.685 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.745 -10.534 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.937 -13.431 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.612 -13.136 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.721 -11.651 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.200 -13.687 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.286 -12.797 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.381 -11.916 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.219 -13.444 -7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.785 -12.954 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.691 -14.462 -5.739 1.00 0.00 H new ATOM 982 N THR A 85 -7.020 -11.952 -1.655 1.00 0.00 N ATOM 983 CA THR A 85 -6.978 -12.152 -0.219 1.00 0.00 C ATOM 984 C THR A 85 -7.034 -10.816 0.525 1.00 0.00 C ATOM 985 O THR A 85 -7.772 -10.694 1.508 1.00 0.00 O ATOM 986 CB THR A 85 -5.790 -13.063 0.137 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.902 -14.209 -0.697 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.863 -13.524 1.597 1.00 0.00 C ATOM 0 H THR A 85 -6.173 -12.249 -2.139 1.00 0.00 H new ATOM 0 HA THR A 85 -7.868 -12.680 0.124 1.00 0.00 H new ATOM 0 HB THR A 85 -4.852 -12.526 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.162 -14.824 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.011 -14.166 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.843 -12.655 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.787 -14.080 1.757 1.00 0.00 H new ATOM 996 N LEU A 86 -6.337 -9.802 0.017 1.00 0.00 N ATOM 997 CA LEU A 86 -6.456 -8.427 0.491 1.00 0.00 C ATOM 998 C LEU A 86 -7.840 -7.875 0.194 1.00 0.00 C ATOM 999 O LEU A 86 -8.474 -7.325 1.088 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.401 -7.537 -0.161 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.292 -6.184 0.572 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.269 -6.281 1.702 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.887 -5.063 -0.376 1.00 0.00 C ATOM 0 H LEU A 86 -5.667 -9.914 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.299 -8.432 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.435 -8.042 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.658 -7.369 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.276 -5.951 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.199 -5.321 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.582 -7.048 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.295 -6.544 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.821 -4.126 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.918 -5.293 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.633 -4.967 -1.165 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.298 -8.011 -1.051 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.573 -7.462 -1.502 1.00 0.00 C ATOM 1017 C ALA A 87 -10.728 -7.957 -0.632 1.00 0.00 C ATOM 1018 O ALA A 87 -11.607 -7.188 -0.244 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.826 -7.837 -2.967 1.00 0.00 C ATOM 0 H ALA A 87 -7.788 -8.510 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.519 -6.377 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.780 -7.421 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.026 -7.435 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.852 -8.922 -3.066 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.728 -9.249 -0.331 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.690 -9.907 0.531 1.00 0.00 C ATOM 1027 C GLU A 88 -11.540 -9.382 1.954 1.00 0.00 C ATOM 1028 O GLU A 88 -12.538 -9.098 2.602 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.485 -11.425 0.459 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.840 -12.032 -0.917 1.00 0.00 C ATOM 1031 CD GLU A 88 -13.276 -12.540 -1.064 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -13.800 -13.199 -0.135 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.819 -12.483 -2.192 1.00 0.00 O ATOM 0 H GLU A 88 -10.026 -9.891 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.706 -9.690 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.445 -11.654 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.095 -11.902 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.660 -11.279 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.159 -12.859 -1.116 1.00 0.00 H new ATOM 1040 N SER A 89 -10.316 -9.199 2.449 1.00 0.00 N ATOM 1041 CA SER A 89 -10.120 -8.711 3.810 1.00 0.00 C ATOM 1042 C SER A 89 -10.661 -7.279 3.947 1.00 0.00 C ATOM 1043 O SER A 89 -11.386 -6.967 4.897 1.00 0.00 O ATOM 1044 CB SER A 89 -8.653 -8.857 4.223 1.00 0.00 C ATOM 1045 OG SER A 89 -8.525 -8.909 5.631 1.00 0.00 O ATOM 0 H SER A 89 -9.455 -9.380 1.933 1.00 0.00 H new ATOM 0 HA SER A 89 -10.694 -9.321 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.236 -9.763 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.076 -8.018 3.833 1.00 0.00 H new ATOM 0 HG SER A 89 -8.305 -8.017 5.973 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.389 -6.429 2.953 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.943 -5.088 2.862 1.00 0.00 C ATOM 1053 C LEU A 90 -12.469 -5.150 2.823 1.00 0.00 C ATOM 1054 O LEU A 90 -13.105 -4.304 3.445 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.417 -4.352 1.616 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.989 -3.786 1.736 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.485 -3.366 0.353 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.898 -2.576 2.679 1.00 0.00 C ATOM 0 H LEU A 90 -9.767 -6.663 2.179 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.627 -4.533 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.448 -5.038 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.097 -3.531 1.386 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.373 -4.581 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.475 -2.966 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.477 -4.231 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.144 -2.601 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.867 -2.224 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.540 -1.777 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.222 -2.868 3.678 1.00 0.00 H new ATOM 1070 N GLU A 91 -13.083 -6.093 2.098 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.541 -6.232 2.086 1.00 0.00 C ATOM 1072 C GLU A 91 -15.092 -6.664 3.443 1.00 0.00 C ATOM 1073 O GLU A 91 -16.120 -6.129 3.861 1.00 0.00 O ATOM 1074 CB GLU A 91 -15.048 -7.088 0.900 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.349 -8.585 1.147 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.843 -8.903 1.168 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -17.438 -9.096 0.080 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -17.449 -8.984 2.263 1.00 0.00 O ATOM 0 H GLU A 91 -12.592 -6.769 1.513 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.953 -5.238 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.959 -6.624 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.305 -7.026 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.869 -9.179 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.907 -8.886 2.097 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.410 -7.555 4.175 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.842 -7.930 5.517 1.00 0.00 C ATOM 1087 C ARG A 92 -14.871 -6.695 6.394 1.00 0.00 C ATOM 1088 O ARG A 92 -15.857 -6.467 7.098 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.919 -8.983 6.135 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.926 -10.331 5.413 1.00 0.00 C ATOM 1091 CD ARG A 92 -15.237 -11.112 5.556 1.00 0.00 C ATOM 1092 NE ARG A 92 -15.017 -12.512 5.175 1.00 0.00 N ATOM 1093 CZ ARG A 92 -14.366 -13.426 5.904 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -14.039 -13.195 7.172 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -14.009 -14.577 5.351 1.00 0.00 N ATOM 0 H ARG A 92 -13.562 -8.024 3.858 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.839 -8.365 5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.900 -8.595 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.210 -9.139 7.174 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.729 -10.165 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.109 -10.941 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.596 -11.056 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.007 -10.669 4.925 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.393 -12.815 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.284 -12.306 7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.543 -13.907 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.231 -14.763 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.513 -15.276 5.904 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.817 -5.886 6.347 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.755 -4.675 7.146 1.00 0.00 C ATOM 1111 C GLN A 93 -14.674 -3.580 6.582 1.00 0.00 C ATOM 1112 O GLN A 93 -15.081 -2.696 7.338 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.297 -4.213 7.284 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.425 -5.257 8.018 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.415 -4.615 8.968 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -10.604 -4.586 10.184 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.304 -4.104 8.469 1.00 0.00 N ATOM 0 H GLN A 93 -12.997 -6.050 5.763 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.128 -4.892 8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.881 -4.025 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.266 -3.269 7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.070 -5.932 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.894 -5.862 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.140 -4.124 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.610 -3.689 9.090 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.076 -3.636 5.308 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.943 -2.636 4.703 1.00 0.00 C ATOM 1128 C GLY A 94 -15.157 -1.411 4.236 1.00 0.00 C ATOM 1129 O GLY A 94 -15.624 -0.282 4.419 1.00 0.00 O ATOM 0 H GLY A 94 -14.804 -4.383 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.468 -3.076 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.701 -2.329 5.423 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.966 -1.622 3.663 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.140 -0.604 3.011 1.00 0.00 C ATOM 1135 C GLN A 95 -12.868 -0.897 1.525 1.00 0.00 C ATOM 1136 O GLN A 95 -12.203 -0.080 0.886 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.797 -0.430 3.750 1.00 0.00 C ATOM 1138 CG GLN A 95 -11.898 0.325 5.077 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.076 -0.598 6.270 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -11.157 -1.305 6.672 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -13.234 -0.581 6.892 1.00 0.00 N ATOM 0 H GLN A 95 -13.535 -2.546 3.641 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.717 0.319 3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.370 -1.415 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.103 0.099 3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.998 0.923 5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.738 1.018 5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.989 0.011 6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.377 -1.160 7.719 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.330 -2.017 0.951 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.960 -2.374 -0.426 1.00 0.00 C ATOM 1152 C LEU A 96 -13.361 -1.279 -1.410 1.00 0.00 C ATOM 1153 O LEU A 96 -12.563 -0.876 -2.257 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.549 -3.726 -0.840 1.00 0.00 C ATOM 1155 CG LEU A 96 -13.172 -4.107 -2.289 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.656 -4.165 -2.536 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.750 -5.482 -2.590 1.00 0.00 C ATOM 0 H LEU A 96 -13.951 -2.683 1.411 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.874 -2.468 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.194 -4.499 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.634 -3.692 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.577 -3.330 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.467 -4.438 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.216 -3.189 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.208 -4.909 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.494 -5.769 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.336 -6.211 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.834 -5.452 -2.483 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.586 -0.768 -1.299 1.00 0.00 N ATOM 1170 CA ASP A 97 -15.015 0.303 -2.187 1.00 0.00 C ATOM 1171 C ASP A 97 -14.283 1.601 -1.843 1.00 0.00 C ATOM 1172 O ASP A 97 -13.886 2.343 -2.741 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.532 0.483 -2.122 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.055 1.305 -3.294 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.501 1.206 -4.411 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -18.091 1.986 -3.128 1.00 0.00 O ATOM 0 H ASP A 97 -15.283 -1.072 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.759 0.033 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.014 -0.495 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.800 0.973 -1.186 1.00 0.00 H new ATOM 1181 N SER A 98 -14.013 1.842 -0.555 1.00 0.00 N ATOM 1182 CA SER A 98 -13.334 3.037 -0.071 1.00 0.00 C ATOM 1183 C SER A 98 -11.955 3.235 -0.695 1.00 0.00 C ATOM 1184 O SER A 98 -11.542 4.387 -0.870 1.00 0.00 O ATOM 1185 CB SER A 98 -13.186 2.999 1.451 1.00 0.00 C ATOM 1186 OG SER A 98 -14.411 2.668 2.067 1.00 0.00 O ATOM 0 H SER A 98 -14.268 1.195 0.191 1.00 0.00 H new ATOM 0 HA SER A 98 -13.961 3.877 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.426 2.269 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.843 3.969 1.812 1.00 0.00 H new ATOM 0 HG SER A 98 -14.293 2.648 3.040 1.00 0.00 H new ATOM 1192 N VAL A 99 -11.237 2.164 -1.049 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.904 2.312 -1.625 1.00 0.00 C ATOM 1194 C VAL A 99 -9.961 2.575 -3.133 1.00 0.00 C ATOM 1195 O VAL A 99 -9.009 3.119 -3.689 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.986 1.131 -1.252 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.845 1.028 0.275 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.436 -0.229 -1.794 1.00 0.00 C ATOM 0 H VAL A 99 -11.554 1.200 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.451 3.199 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.032 1.357 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.194 0.190 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.414 1.951 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.827 0.870 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.729 -0.997 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.426 -0.466 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.473 -0.193 -2.883 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.093 2.285 -3.774 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.288 2.400 -5.214 1.00 0.00 C ATOM 1210 C GLY A 100 -11.787 1.098 -5.851 1.00 0.00 C ATOM 1211 O GLY A 100 -11.796 0.999 -7.081 1.00 0.00 O ATOM 0 H GLY A 100 -11.925 1.953 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.004 3.196 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.347 2.691 -5.682 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.182 0.104 -5.049 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.707 -1.166 -5.524 1.00 0.00 C ATOM 1217 C GLY A 101 -11.596 -2.132 -5.929 1.00 0.00 C ATOM 1218 O GLY A 101 -10.409 -1.792 -5.917 1.00 0.00 O ATOM 0 H GLY A 101 -12.142 0.168 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.315 -1.621 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.363 -0.990 -6.377 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.987 -3.348 -6.316 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.065 -4.390 -6.766 1.00 0.00 C ATOM 1224 C PHE A 102 -10.175 -3.890 -7.907 1.00 0.00 C ATOM 1225 O PHE A 102 -8.989 -4.211 -7.951 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.855 -5.634 -7.197 1.00 0.00 C ATOM 1227 CG PHE A 102 -11.001 -6.876 -7.398 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.282 -7.086 -8.593 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.922 -7.836 -6.373 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.491 -8.240 -8.750 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.164 -9.004 -6.543 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.448 -9.209 -7.731 1.00 0.00 C ATOM 0 H PHE A 102 -12.965 -3.639 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.412 -4.655 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.615 -5.847 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.380 -5.413 -8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.338 -6.359 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.450 -7.672 -5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.917 -8.382 -9.654 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.132 -9.746 -5.759 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.865 -10.108 -7.863 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.718 -3.087 -8.827 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.964 -2.538 -9.944 1.00 0.00 C ATOM 1244 C ALA A 103 -8.799 -1.670 -9.482 1.00 0.00 C ATOM 1245 O ALA A 103 -7.766 -1.681 -10.148 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.883 -1.727 -10.856 1.00 0.00 C ATOM 0 H ALA A 103 -11.697 -2.802 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.549 -3.381 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.306 -1.322 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.673 -2.371 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.327 -0.908 -10.290 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.936 -0.955 -8.362 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.866 -0.127 -7.821 1.00 0.00 C ATOM 1254 C TYR A 104 -6.710 -1.001 -7.371 1.00 0.00 C ATOM 1255 O TYR A 104 -5.563 -0.725 -7.717 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.392 0.715 -6.653 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.451 1.801 -6.183 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.413 1.514 -5.275 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -7.620 3.109 -6.665 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.532 2.534 -4.872 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -6.729 4.122 -6.288 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.676 3.838 -5.393 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.797 4.812 -5.034 1.00 0.00 O ATOM 0 H TYR A 104 -9.793 -0.937 -7.809 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.508 0.547 -8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.335 1.174 -6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.609 0.053 -5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.294 0.512 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.441 3.335 -7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.745 2.319 -4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.848 5.120 -6.682 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.037 5.650 -5.482 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.020 -2.061 -6.623 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.047 -3.035 -6.145 1.00 0.00 C ATOM 1275 C LEU A 105 -5.352 -3.683 -7.331 1.00 0.00 C ATOM 1276 O LEU A 105 -4.125 -3.749 -7.372 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.746 -4.124 -5.317 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.530 -3.618 -4.098 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -8.166 -4.804 -3.379 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.638 -2.834 -3.138 1.00 0.00 C ATOM 0 H LEU A 105 -7.975 -2.267 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.316 -2.522 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.430 -4.669 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.995 -4.836 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.307 -2.938 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.724 -4.448 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.843 -5.321 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.386 -5.491 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.229 -2.493 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.831 -3.476 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.216 -1.973 -3.655 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.142 -4.135 -8.309 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.649 -4.732 -9.532 1.00 0.00 C ATOM 1294 C ALA A 106 -4.712 -3.763 -10.247 1.00 0.00 C ATOM 1295 O ALA A 106 -3.649 -4.167 -10.712 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.844 -5.166 -10.388 1.00 0.00 C ATOM 0 H ALA A 106 -7.160 -4.091 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.059 -5.623 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.484 -5.617 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.441 -5.893 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.458 -4.297 -10.624 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.079 -2.485 -10.311 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.310 -1.468 -11.007 1.00 0.00 C ATOM 1304 C GLU A 107 -3.003 -1.184 -10.268 1.00 0.00 C ATOM 1305 O GLU A 107 -1.983 -1.006 -10.932 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.166 -0.211 -11.230 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.447 0.846 -12.081 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.421 1.599 -12.986 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.787 1.045 -14.054 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.817 2.736 -12.653 1.00 0.00 O ATOM 0 H GLU A 107 -5.929 -2.127 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.031 -1.835 -11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.099 -0.493 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.429 0.222 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.936 1.553 -11.428 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.682 0.364 -12.690 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.991 -1.224 -8.928 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.758 -1.140 -8.145 1.00 0.00 C ATOM 1319 C LEU A 108 -0.859 -2.325 -8.453 1.00 0.00 C ATOM 1320 O LEU A 108 0.329 -2.140 -8.695 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.990 -1.105 -6.626 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.724 0.107 -6.029 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.266 0.268 -4.576 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -2.457 1.414 -6.777 1.00 0.00 C ATOM 0 H LEU A 108 -3.834 -1.315 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.293 -0.198 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.550 -2.000 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.017 -1.178 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.794 -0.086 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.772 1.123 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.511 -0.634 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.188 0.430 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.007 2.225 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.390 1.636 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.783 1.314 -7.812 1.00 0.00 H new ATOM 1336 N SER A 109 -1.414 -3.533 -8.465 1.00 0.00 N ATOM 1337 CA SER A 109 -0.672 -4.736 -8.803 1.00 0.00 C ATOM 1338 C SER A 109 -0.051 -4.598 -10.197 1.00 0.00 C ATOM 1339 O SER A 109 1.128 -4.883 -10.391 1.00 0.00 O ATOM 1340 CB SER A 109 -1.599 -5.951 -8.675 1.00 0.00 C ATOM 1341 OG SER A 109 -0.932 -6.976 -7.970 1.00 0.00 O ATOM 0 H SER A 109 -2.394 -3.702 -8.239 1.00 0.00 H new ATOM 0 HA SER A 109 0.156 -4.883 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.514 -5.671 -8.153 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.892 -6.305 -9.663 1.00 0.00 H new ATOM 0 HG SER A 109 -0.970 -6.790 -7.009 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.808 -4.076 -11.162 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.318 -3.842 -12.517 1.00 0.00 C ATOM 1349 C LYS A 110 0.617 -2.631 -12.592 1.00 0.00 C ATOM 1350 O LYS A 110 1.344 -2.500 -13.571 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.514 -3.722 -13.473 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.291 -5.048 -13.555 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.672 -4.921 -14.219 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.742 -5.633 -13.385 1.00 0.00 C ATOM 1355 NZ LYS A 110 -4.504 -7.086 -13.256 1.00 0.00 N ATOM 0 H LYS A 110 -1.781 -3.803 -11.024 1.00 0.00 H new ATOM 0 HA LYS A 110 0.288 -4.694 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.178 -2.928 -13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.163 -3.440 -14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.696 -5.772 -14.112 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.418 -5.446 -12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.932 -3.868 -14.331 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.640 -5.349 -15.221 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.776 -5.187 -12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.718 -5.470 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.294 -7.523 -12.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.431 -7.511 -14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.619 -7.248 -12.735 1.00 0.00 H new ATOM 1369 N ASN A 111 0.686 -1.785 -11.560 1.00 0.00 N ATOM 1370 CA ASN A 111 1.637 -0.674 -11.436 1.00 0.00 C ATOM 1371 C ASN A 111 2.975 -1.152 -10.874 1.00 0.00 C ATOM 1372 O ASN A 111 3.761 -0.355 -10.364 1.00 0.00 O ATOM 1373 CB ASN A 111 1.059 0.496 -10.594 1.00 0.00 C ATOM 1374 CG ASN A 111 0.068 1.376 -11.343 1.00 0.00 C ATOM 1375 OD1 ASN A 111 0.124 1.482 -12.565 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -0.832 2.057 -10.654 1.00 0.00 N ATOM 0 H ASN A 111 0.059 -1.857 -10.759 1.00 0.00 H new ATOM 0 HA ASN A 111 1.813 -0.289 -12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.568 0.085 -9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.883 1.116 -10.241 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.484 2.674 -11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.874 1.965 -9.639 1.00 0.00 H new ATOM 1383 N THR A 112 3.256 -2.446 -10.963 1.00 0.00 N ATOM 1384 CA THR A 112 4.516 -3.042 -10.556 1.00 0.00 C ATOM 1385 C THR A 112 5.439 -3.102 -11.777 1.00 0.00 C ATOM 1386 O THR A 112 5.201 -3.924 -12.660 1.00 0.00 O ATOM 1387 CB THR A 112 4.282 -4.424 -9.942 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.282 -4.348 -8.960 1.00 0.00 O ATOM 1389 CG2 THR A 112 5.555 -4.913 -9.257 1.00 0.00 C ATOM 0 H THR A 112 2.592 -3.127 -11.332 1.00 0.00 H new ATOM 0 HA THR A 112 4.992 -2.436 -9.785 1.00 0.00 H new ATOM 0 HB THR A 112 3.988 -5.105 -10.741 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.404 -4.289 -9.391 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.379 -5.897 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.360 -4.978 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.836 -4.214 -8.469 1.00 0.00 H new ATOM 1397 N PRO A 113 6.500 -2.280 -11.873 1.00 0.00 N ATOM 1398 CA PRO A 113 7.401 -2.337 -13.019 1.00 0.00 C ATOM 1399 C PRO A 113 8.288 -3.582 -13.044 1.00 0.00 C ATOM 1400 O PRO A 113 8.799 -3.954 -14.098 1.00 0.00 O ATOM 1401 CB PRO A 113 8.197 -1.033 -12.988 1.00 0.00 C ATOM 1402 CG PRO A 113 8.158 -0.606 -11.522 1.00 0.00 C ATOM 1403 CD PRO A 113 6.840 -1.171 -11.001 1.00 0.00 C ATOM 0 HA PRO A 113 6.834 -2.429 -13.945 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.220 -1.183 -13.332 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.750 -0.278 -13.635 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.008 -1.005 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.193 0.479 -11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.941 -1.505 -9.968 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.058 -0.411 -11.015 1.00 0.00 H new ATOM 1411 N SER A 114 8.426 -4.240 -11.898 1.00 0.00 N ATOM 1412 CA SER A 114 9.032 -5.563 -11.736 1.00 0.00 C ATOM 1413 C SER A 114 8.957 -6.072 -10.298 1.00 0.00 C ATOM 1414 O SER A 114 8.893 -7.286 -10.122 1.00 0.00 O ATOM 1415 CB SER A 114 10.514 -5.553 -12.167 1.00 0.00 C ATOM 1416 OG SER A 114 10.837 -6.718 -12.904 1.00 0.00 O ATOM 0 H SER A 114 8.104 -3.849 -11.013 1.00 0.00 H new ATOM 0 HA SER A 114 8.456 -6.232 -12.375 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.714 -4.669 -12.772 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.152 -5.488 -11.286 1.00 0.00 H new ATOM 0 HG SER A 114 11.781 -6.687 -13.167 1.00 0.00 H new ATOM 1422 N ALA A 115 8.974 -5.176 -9.300 1.00 0.00 N ATOM 1423 CA ALA A 115 9.145 -5.448 -7.864 1.00 0.00 C ATOM 1424 C ALA A 115 10.623 -5.690 -7.522 1.00 0.00 C ATOM 1425 O ALA A 115 10.941 -6.009 -6.378 1.00 0.00 O ATOM 1426 CB ALA A 115 8.256 -6.585 -7.328 1.00 0.00 C ATOM 0 H ALA A 115 8.862 -4.179 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 115 8.805 -4.548 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 115 8.443 -6.722 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.207 -6.331 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.488 -7.509 -7.858 1.00 0.00 H new ATOM 1432 N ALA A 116 11.527 -5.503 -8.488 1.00 0.00 N ATOM 1433 CA ALA A 116 12.966 -5.558 -8.303 1.00 0.00 C ATOM 1434 C ALA A 116 13.372 -4.438 -7.348 1.00 0.00 C ATOM 1435 O ALA A 116 13.764 -4.684 -6.209 1.00 0.00 O ATOM 1436 CB ALA A 116 13.661 -5.417 -9.665 1.00 0.00 C ATOM 0 H ALA A 116 11.260 -5.303 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 116 13.268 -6.513 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.742 -5.458 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 116 13.347 -6.230 -10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 116 13.388 -4.463 -10.116 1.00 0.00 H new ATOM 1442 N ASN A 117 13.213 -3.198 -7.807 1.00 0.00 N ATOM 1443 CA ASN A 117 13.659 -1.973 -7.151 1.00 0.00 C ATOM 1444 C ASN A 117 12.743 -1.573 -5.986 1.00 0.00 C ATOM 1445 O ASN A 117 12.681 -0.403 -5.619 1.00 0.00 O ATOM 1446 CB ASN A 117 13.804 -0.859 -8.207 1.00 0.00 C ATOM 1447 CG ASN A 117 14.988 -1.123 -9.133 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.029 -2.138 -9.828 1.00 0.00 O ATOM 1449 ND2 ASN A 117 15.966 -0.236 -9.171 1.00 0.00 N ATOM 0 H ASN A 117 12.744 -3.012 -8.694 1.00 0.00 H new ATOM 0 HA ASN A 117 14.635 -2.147 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.888 -0.791 -8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.936 0.102 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.769 -0.388 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.919 0.601 -8.589 1.00 0.00 H new ATOM 1456 N ILE A 118 11.971 -2.504 -5.422 1.00 0.00 N ATOM 1457 CA ILE A 118 10.903 -2.218 -4.471 1.00 0.00 C ATOM 1458 C ILE A 118 11.403 -1.480 -3.246 1.00 0.00 C ATOM 1459 O ILE A 118 10.847 -0.454 -2.867 1.00 0.00 O ATOM 1460 CB ILE A 118 10.187 -3.530 -4.109 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.833 -3.231 -3.433 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.037 -4.553 -3.336 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.028 -4.478 -3.059 1.00 0.00 C ATOM 0 H ILE A 118 12.076 -3.499 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 118 10.187 -1.544 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 118 9.999 -4.041 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.012 -2.644 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.234 -2.613 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.439 -5.441 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.905 -4.830 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.369 -4.113 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.091 -4.179 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.815 -5.057 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.604 -5.088 -2.363 1.00 0.00 H new ATOM 1475 N SER A 119 12.455 -2.008 -2.640 1.00 0.00 N ATOM 1476 CA SER A 119 13.024 -1.399 -1.447 1.00 0.00 C ATOM 1477 C SER A 119 13.578 -0.007 -1.762 1.00 0.00 C ATOM 1478 O SER A 119 13.430 0.912 -0.958 1.00 0.00 O ATOM 1479 CB SER A 119 14.065 -2.328 -0.814 1.00 0.00 C ATOM 1480 OG SER A 119 14.101 -2.114 0.577 1.00 0.00 O ATOM 0 H SER A 119 12.931 -2.854 -2.953 1.00 0.00 H new ATOM 0 HA SER A 119 12.237 -1.259 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.817 -3.368 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.047 -2.140 -1.247 1.00 0.00 H new ATOM 0 HG SER A 119 14.766 -2.709 0.982 1.00 0.00 H new ATOM 1486 N ALA A 120 14.131 0.182 -2.963 1.00 0.00 N ATOM 1487 CA ALA A 120 14.649 1.476 -3.396 1.00 0.00 C ATOM 1488 C ALA A 120 13.506 2.473 -3.612 1.00 0.00 C ATOM 1489 O ALA A 120 13.655 3.655 -3.301 1.00 0.00 O ATOM 1490 CB ALA A 120 15.492 1.318 -4.667 1.00 0.00 C ATOM 0 H ALA A 120 14.231 -0.557 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 120 15.292 1.872 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.870 2.292 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.330 0.650 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.876 0.899 -5.463 1.00 0.00 H new ATOM 1496 N TYR A 121 12.357 2.010 -4.117 1.00 0.00 N ATOM 1497 CA TYR A 121 11.149 2.812 -4.228 1.00 0.00 C ATOM 1498 C TYR A 121 10.624 3.146 -2.830 1.00 0.00 C ATOM 1499 O TYR A 121 10.283 4.296 -2.574 1.00 0.00 O ATOM 1500 CB TYR A 121 10.063 2.075 -5.020 1.00 0.00 C ATOM 1501 CG TYR A 121 10.135 2.086 -6.536 1.00 0.00 C ATOM 1502 CD1 TYR A 121 11.336 1.871 -7.242 1.00 0.00 C ATOM 1503 CD2 TYR A 121 8.942 2.263 -7.253 1.00 0.00 C ATOM 1504 CE1 TYR A 121 11.338 1.820 -8.649 1.00 0.00 C ATOM 1505 CE2 TYR A 121 8.938 2.215 -8.655 1.00 0.00 C ATOM 1506 CZ TYR A 121 10.134 1.998 -9.364 1.00 0.00 C ATOM 1507 OH TYR A 121 10.088 2.010 -10.720 1.00 0.00 O ATOM 0 H TYR A 121 12.246 1.057 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 121 11.398 3.729 -4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.066 1.034 -4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 121 9.100 2.496 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.261 1.744 -6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.019 2.438 -6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 121 12.261 1.645 -9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.011 2.345 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 121 10.802 1.442 -11.077 1.00 0.00 H new ATOM 1517 N ALA A 122 10.556 2.175 -1.915 1.00 0.00 N ATOM 1518 CA ALA A 122 10.109 2.400 -0.545 1.00 0.00 C ATOM 1519 C ALA A 122 11.013 3.406 0.168 1.00 0.00 C ATOM 1520 O ALA A 122 10.543 4.155 1.014 1.00 0.00 O ATOM 1521 CB ALA A 122 10.043 1.072 0.211 1.00 0.00 C ATOM 0 H ALA A 122 10.812 1.207 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 122 9.107 2.828 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.708 1.251 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.342 0.403 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.032 0.614 0.228 1.00 0.00 H new ATOM 1527 N ASP A 123 12.290 3.478 -0.195 1.00 0.00 N ATOM 1528 CA ASP A 123 13.224 4.479 0.310 1.00 0.00 C ATOM 1529 C ASP A 123 12.869 5.902 -0.132 1.00 0.00 C ATOM 1530 O ASP A 123 13.216 6.874 0.541 1.00 0.00 O ATOM 1531 CB ASP A 123 14.622 4.127 -0.180 1.00 0.00 C ATOM 1532 CG ASP A 123 15.715 4.578 0.778 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.576 4.435 2.013 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.800 4.965 0.284 1.00 0.00 O ATOM 0 H ASP A 123 12.712 2.831 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 123 13.171 4.466 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.691 3.048 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.787 4.587 -1.154 1.00 0.00 H new ATOM 1539 N ILE A 124 12.185 6.048 -1.270 1.00 0.00 N ATOM 1540 CA ILE A 124 11.581 7.319 -1.695 1.00 0.00 C ATOM 1541 C ILE A 124 10.502 7.660 -0.671 1.00 0.00 C ATOM 1542 O ILE A 124 10.542 8.738 -0.077 1.00 0.00 O ATOM 1543 CB ILE A 124 10.988 7.286 -3.132 1.00 0.00 C ATOM 1544 CG1 ILE A 124 11.997 6.758 -4.168 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.520 8.690 -3.557 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.425 6.570 -5.573 1.00 0.00 C ATOM 0 H ILE A 124 12.032 5.284 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 124 12.360 8.080 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 124 10.139 6.603 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.838 7.449 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.390 5.803 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.108 8.647 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.754 9.042 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.367 9.376 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.205 6.196 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 124 10.603 5.854 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.058 7.526 -5.947 1.00 0.00 H new ATOM 1558 N VAL A 125 9.560 6.739 -0.458 1.00 0.00 N ATOM 1559 CA VAL A 125 8.421 6.897 0.441 1.00 0.00 C ATOM 1560 C VAL A 125 8.914 7.272 1.844 1.00 0.00 C ATOM 1561 O VAL A 125 8.406 8.227 2.432 1.00 0.00 O ATOM 1562 CB VAL A 125 7.572 5.606 0.447 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.285 5.803 1.265 1.00 0.00 C ATOM 1564 CG2 VAL A 125 7.238 5.101 -0.968 1.00 0.00 C ATOM 0 H VAL A 125 9.572 5.832 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 125 7.781 7.707 0.090 1.00 0.00 H new ATOM 0 HB VAL A 125 8.182 4.837 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.703 4.881 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.543 6.059 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.696 6.609 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.640 4.192 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.675 5.865 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.162 4.887 -1.506 1.00 0.00 H new ATOM 1574 N ARG A 126 9.932 6.561 2.341 1.00 0.00 N ATOM 1575 CA ARG A 126 10.632 6.818 3.594 1.00 0.00 C ATOM 1576 C ARG A 126 11.080 8.265 3.644 1.00 0.00 C ATOM 1577 O ARG A 126 10.713 8.992 4.562 1.00 0.00 O ATOM 1578 CB ARG A 126 11.814 5.835 3.708 1.00 0.00 C ATOM 1579 CG ARG A 126 12.542 5.838 5.061 1.00 0.00 C ATOM 1580 CD ARG A 126 13.593 6.940 5.235 1.00 0.00 C ATOM 1581 NE ARG A 126 14.360 6.700 6.465 1.00 0.00 N ATOM 1582 CZ ARG A 126 15.403 7.393 6.920 1.00 0.00 C ATOM 1583 NH1 ARG A 126 15.939 8.393 6.231 1.00 0.00 N ATOM 1584 NH2 ARG A 126 15.918 7.047 8.089 1.00 0.00 N ATOM 0 H ARG A 126 10.306 5.749 1.850 1.00 0.00 H new ATOM 0 HA ARG A 126 9.972 6.658 4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.447 4.827 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.536 6.068 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.801 5.937 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.027 4.871 5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.262 6.957 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.108 7.915 5.281 1.00 0.00 H new ATOM 0 HE ARG A 126 14.059 5.911 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.552 8.652 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.737 8.903 6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.516 6.270 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.717 7.557 8.465 1.00 0.00 H new ATOM 1598 N GLU A 127 11.880 8.697 2.671 1.00 0.00 N ATOM 1599 CA GLU A 127 12.437 10.040 2.657 1.00 0.00 C ATOM 1600 C GLU A 127 11.327 11.081 2.663 1.00 0.00 C ATOM 1601 O GLU A 127 11.342 12.003 3.472 1.00 0.00 O ATOM 1602 CB GLU A 127 13.328 10.200 1.425 1.00 0.00 C ATOM 1603 CG GLU A 127 14.233 11.429 1.547 1.00 0.00 C ATOM 1604 CD GLU A 127 15.480 11.270 0.686 1.00 0.00 C ATOM 1605 OE1 GLU A 127 16.465 10.656 1.155 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.496 11.758 -0.469 1.00 0.00 O ATOM 0 H GLU A 127 12.157 8.124 1.874 1.00 0.00 H new ATOM 0 HA GLU A 127 13.037 10.193 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.940 9.307 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.707 10.290 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.686 12.321 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.521 11.573 2.589 1.00 0.00 H new ATOM 1613 N ARG A 128 10.339 10.917 1.784 1.00 0.00 N ATOM 1614 CA ARG A 128 9.173 11.801 1.745 1.00 0.00 C ATOM 1615 C ARG A 128 8.471 11.859 3.101 1.00 0.00 C ATOM 1616 O ARG A 128 8.054 12.946 3.501 1.00 0.00 O ATOM 1617 CB ARG A 128 8.158 11.351 0.687 1.00 0.00 C ATOM 1618 CG ARG A 128 8.608 11.409 -0.773 1.00 0.00 C ATOM 1619 CD ARG A 128 9.107 12.781 -1.229 1.00 0.00 C ATOM 1620 NE ARG A 128 9.515 12.724 -2.638 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.642 12.177 -3.102 1.00 0.00 C ATOM 1622 NH1 ARG A 128 11.562 11.687 -2.271 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.799 12.124 -4.413 1.00 0.00 N ATOM 0 H ARG A 128 10.323 10.175 1.084 1.00 0.00 H new ATOM 0 HA ARG A 128 9.547 12.792 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.867 10.325 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.264 11.966 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.403 10.679 -0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.775 11.110 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.321 13.525 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.948 13.095 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 128 8.883 13.138 -3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.411 11.726 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.417 11.273 -2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.074 12.493 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.645 11.714 -4.809 1.00 0.00 H new ATOM 1637 N ALA A 129 8.336 10.734 3.803 1.00 0.00 N ATOM 1638 CA ALA A 129 7.621 10.673 5.067 1.00 0.00 C ATOM 1639 C ALA A 129 8.437 11.324 6.182 1.00 0.00 C ATOM 1640 O ALA A 129 7.867 11.980 7.052 1.00 0.00 O ATOM 1641 CB ALA A 129 7.291 9.222 5.406 1.00 0.00 C ATOM 0 H ALA A 129 8.723 9.838 3.505 1.00 0.00 H new ATOM 0 HA ALA A 129 6.688 11.229 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.755 9.183 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.668 8.797 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.214 8.648 5.487 1.00 0.00 H new ATOM 1647 N VAL A 130 9.762 11.193 6.158 1.00 0.00 N ATOM 1648 CA VAL A 130 10.636 11.913 7.070 1.00 0.00 C ATOM 1649 C VAL A 130 10.537 13.419 6.769 1.00 0.00 C ATOM 1650 O VAL A 130 10.349 14.233 7.673 1.00 0.00 O ATOM 1651 CB VAL A 130 12.053 11.311 6.999 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.049 12.123 7.827 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.059 9.873 7.553 1.00 0.00 C ATOM 0 H VAL A 130 10.255 10.584 5.505 1.00 0.00 H new ATOM 0 HA VAL A 130 10.332 11.802 8.111 1.00 0.00 H new ATOM 0 HB VAL A 130 12.346 11.324 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.038 11.670 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.089 13.144 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.731 12.134 8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.068 9.465 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.731 9.882 8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.382 9.254 6.964 1.00 0.00 H new ATOM 1663 N VAL A 131 10.534 13.811 5.496 1.00 0.00 N ATOM 1664 CA VAL A 131 10.344 15.196 5.071 1.00 0.00 C ATOM 1665 C VAL A 131 8.939 15.700 5.462 1.00 0.00 C ATOM 1666 O VAL A 131 8.752 16.899 5.688 1.00 0.00 O ATOM 1667 CB VAL A 131 10.646 15.284 3.558 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.255 16.620 2.917 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.150 15.081 3.288 1.00 0.00 C ATOM 0 H VAL A 131 10.666 13.164 4.718 1.00 0.00 H new ATOM 0 HA VAL A 131 11.036 15.863 5.585 1.00 0.00 H new ATOM 0 HB VAL A 131 10.040 14.495 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 131 10.500 16.600 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 131 9.184 16.783 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.803 17.429 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.339 15.147 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.720 15.853 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.456 14.100 3.651 1.00 0.00 H new ATOM 1679 N ARG A 132 7.946 14.814 5.611 1.00 0.00 N ATOM 1680 CA ARG A 132 6.595 15.170 6.045 1.00 0.00 C ATOM 1681 C ARG A 132 6.601 15.695 7.478 1.00 0.00 C ATOM 1682 O ARG A 132 5.764 16.542 7.799 1.00 0.00 O ATOM 1683 CB ARG A 132 5.643 13.970 5.848 1.00 0.00 C ATOM 1684 CG ARG A 132 4.141 14.313 5.809 1.00 0.00 C ATOM 1685 CD ARG A 132 3.372 13.820 7.045 1.00 0.00 C ATOM 1686 NE ARG A 132 3.727 14.578 8.257 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.945 14.097 9.486 1.00 0.00 C ATOM 1688 NH1 ARG A 132 3.831 12.803 9.749 1.00 0.00 N ATOM 1689 NH2 ARG A 132 4.285 14.939 10.454 1.00 0.00 N ATOM 0 H ARG A 132 8.063 13.817 5.430 1.00 0.00 H new ATOM 0 HA ARG A 132 6.220 15.985 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.907 13.468 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.814 13.257 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.024 15.393 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.698 13.874 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.301 13.908 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.583 12.763 7.205 1.00 0.00 H new ATOM 0 HE ARG A 132 3.817 15.588 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.573 12.153 9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.002 12.458 10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 132 4.376 15.935 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.455 14.590 11.397 1.00 0.00 H new ATOM 1703 N GLU A 133 7.527 15.227 8.317 1.00 0.00 N ATOM 1704 CA GLU A 133 7.635 15.567 9.740 1.00 0.00 C ATOM 1705 C GLU A 133 8.750 16.569 10.036 1.00 0.00 C ATOM 1706 O GLU A 133 8.698 17.317 11.016 1.00 0.00 O ATOM 1707 CB GLU A 133 7.773 14.284 10.561 1.00 0.00 C ATOM 1708 CG GLU A 133 9.040 13.458 10.327 1.00 0.00 C ATOM 1709 CD GLU A 133 9.215 12.339 11.352 1.00 0.00 C ATOM 1710 OE1 GLU A 133 8.299 11.500 11.511 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.272 12.304 12.018 1.00 0.00 O ATOM 0 H GLU A 133 8.251 14.576 8.014 1.00 0.00 H new ATOM 0 HA GLU A 133 6.718 16.077 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.728 14.548 11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.910 13.651 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.007 13.026 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.909 14.116 10.362 1.00 0.00 H new ATOM 1718 N MET A 134 9.700 16.676 9.116 1.00 0.00 N ATOM 1719 CA MET A 134 10.723 17.732 9.107 1.00 0.00 C ATOM 1720 C MET A 134 10.125 19.088 8.681 1.00 0.00 C ATOM 1721 O MET A 134 10.869 20.056 8.506 1.00 0.00 O ATOM 1722 CB MET A 134 11.861 17.391 8.128 1.00 0.00 C ATOM 1723 CG MET A 134 12.771 16.241 8.551 1.00 0.00 C ATOM 1724 SD MET A 134 14.046 15.841 7.324 1.00 0.00 S ATOM 1725 CE MET A 134 15.236 17.173 7.634 1.00 0.00 C ATOM 0 H MET A 134 9.789 16.023 8.338 1.00 0.00 H new ATOM 0 HA MET A 134 11.109 17.800 10.124 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.423 17.147 7.160 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.473 18.282 7.986 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.253 16.497 9.494 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.163 15.355 8.734 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.083 17.069 6.956 1.00 0.00 H new ATOM 0 HE2 MET A 134 14.755 18.137 7.468 1.00 0.00 H new ATOM 0 HE3 MET A 134 15.586 17.115 8.665 1.00 0.00 H new ATOM 1735 N ILE A 135 8.808 19.188 8.479 1.00 0.00 N ATOM 1736 CA ILE A 135 8.117 20.375 7.993 1.00 0.00 C ATOM 1737 C ILE A 135 6.896 20.618 8.890 1.00 0.00 C ATOM 1738 O ILE A 135 6.307 19.677 9.430 1.00 0.00 O ATOM 1739 CB ILE A 135 7.826 20.186 6.482 1.00 0.00 C ATOM 1740 CG1 ILE A 135 9.165 20.341 5.717 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.789 21.188 5.963 1.00 0.00 C ATOM 1742 CD1 ILE A 135 9.148 20.112 4.207 1.00 0.00 C ATOM 0 H ILE A 135 8.173 18.410 8.658 1.00 0.00 H new ATOM 0 HA ILE A 135 8.713 21.285 8.059 1.00 0.00 H new ATOM 0 HB ILE A 135 7.402 19.195 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 135 9.542 21.347 5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 135 9.884 19.647 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.618 21.017 4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 135 5.853 21.058 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.157 22.203 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 135 10.152 20.254 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 135 8.814 19.096 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 135 8.467 20.822 3.739 1.00 0.00 H new ATOM 1754 N SER A 136 6.574 21.897 9.084 1.00 0.00 N ATOM 1755 CA SER A 136 5.602 22.418 10.036 1.00 0.00 C ATOM 1756 C SER A 136 4.176 22.084 9.632 1.00 0.00 C ATOM 1757 O SER A 136 3.394 21.695 10.529 1.00 0.00 O ATOM 1758 CB SER A 136 5.771 23.936 10.116 1.00 0.00 C ATOM 1759 OG SER A 136 7.090 24.281 10.521 1.00 0.00 O ATOM 1760 OXT SER A 136 3.793 22.363 8.476 1.00 0.00 O ATOM 0 H SER A 136 7.015 22.642 8.544 1.00 0.00 H new ATOM 0 HA SER A 136 5.782 21.954 11.006 1.00 0.00 H new ATOM 0 HB2 SER A 136 5.557 24.381 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 136 5.050 24.349 10.822 1.00 0.00 H new ATOM 0 HG SER A 136 7.175 25.256 10.563 1.00 0.00 H new TER 1766 SER A 136