USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 990 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 57 ASN : amide:sc= -0.0189 K(o=2.3,f=1.2) USER MOD Set 1.2: A 92 SER OG : rot -70:sc= 1.05 USER MOD Set 1.3: A 114 LYS NZ :NH3+ -134:sc= 1.27 (180deg=-0.521) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -156:sc= 1.28 USER MOD Single : A 19 ASN : amide:sc= 0.168 K(o=0.17,f=-0.41) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0121 (180deg=-0.174) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -0.498 (180deg=-2.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -172:sc= -1.51 (180deg=-1.76) USER MOD Single : A 30 LYS NZ :NH3+ 138:sc= 1.24 (180deg=0.214) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 42 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.47) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.014 (180deg=-0.167) USER MOD Single : A 51 TYR OH : rot 46:sc= 0.357 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.47! C(o=-1.5!,f=-8.5!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0706 USER MOD Single : A 69 ASN : amide:sc= -0.845 K(o=-0.84,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.15) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= -0.0213 (180deg=-0.148) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 101 SER OG : rot -23:sc= 0.29 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -4.27! C(o=-4.3!,f=-5.7!) USER MOD Single : A 107 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.47) USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= -6.51! (180deg=-7.48!) USER MOD Single : A 112 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.02) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= 1.28 (180deg=0.963) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.352 K(o=-0.35,f=-6.2!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 143:sc= -0.0837 (180deg=-0.568) USER MOD Single : A 126 LYS NZ :NH3+ 150:sc= 1.35 (180deg=1.16) USER MOD Single : A 128 THR OG1 : rot 65:sc= 1.22 USER MOD Single : A 131 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 133 GLN : amide:sc= -2.12 X(o=-2.1,f=-2.3) USER MOD Single : A 140 SER OG : rot 60:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -14.989 6.658 1.484 1.00 0.00 N ATOM 2 CA GLY A 15 -14.815 5.734 0.340 1.00 0.00 C ATOM 3 C GLY A 15 -16.043 4.880 0.129 1.00 0.00 C ATOM 4 O GLY A 15 -17.085 5.126 0.737 1.00 0.00 O ATOM 0 HA2 GLY A 15 -14.609 6.307 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.951 5.094 0.516 1.00 0.00 H new ATOM 10 N SER A 16 -15.935 3.880 -0.727 1.00 0.00 N ATOM 11 CA SER A 16 -17.053 2.994 -0.998 1.00 0.00 C ATOM 12 C SER A 16 -16.710 1.561 -0.606 1.00 0.00 C ATOM 13 O SER A 16 -17.152 0.604 -1.246 1.00 0.00 O ATOM 14 CB SER A 16 -17.431 3.069 -2.478 1.00 0.00 C ATOM 15 OG SER A 16 -17.736 4.404 -2.858 1.00 0.00 O ATOM 0 H SER A 16 -15.085 3.661 -1.246 1.00 0.00 H new ATOM 0 HA SER A 16 -17.906 3.314 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.609 2.693 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.290 2.427 -2.671 1.00 0.00 H new ATOM 0 HG SER A 16 -17.973 4.427 -3.809 1.00 0.00 H new ATOM 21 N SER A 17 -15.922 1.421 0.448 1.00 0.00 N ATOM 22 CA SER A 17 -15.512 0.110 0.919 1.00 0.00 C ATOM 23 C SER A 17 -15.758 -0.030 2.418 1.00 0.00 C ATOM 24 O SER A 17 -16.343 0.857 3.045 1.00 0.00 O ATOM 25 CB SER A 17 -14.033 -0.117 0.609 1.00 0.00 C ATOM 26 OG SER A 17 -13.771 0.047 -0.775 1.00 0.00 O ATOM 0 H SER A 17 -15.554 2.200 0.993 1.00 0.00 H new ATOM 0 HA SER A 17 -16.107 -0.642 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.426 0.584 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.743 -1.120 0.921 1.00 0.00 H new ATOM 0 HG SER A 17 -12.959 -0.446 -1.015 1.00 0.00 H new ATOM 32 N GLY A 18 -15.314 -1.145 2.982 1.00 0.00 N ATOM 33 CA GLY A 18 -15.473 -1.384 4.404 1.00 0.00 C ATOM 34 C GLY A 18 -14.489 -0.587 5.238 1.00 0.00 C ATOM 35 O GLY A 18 -13.601 0.077 4.693 1.00 0.00 O ATOM 0 H GLY A 18 -14.843 -1.894 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.489 -1.126 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.341 -2.447 4.608 1.00 0.00 H new ATOM 39 N ASN A 19 -14.650 -0.638 6.554 1.00 0.00 N ATOM 40 CA ASN A 19 -13.751 0.068 7.463 1.00 0.00 C ATOM 41 C ASN A 19 -12.342 -0.473 7.342 1.00 0.00 C ATOM 42 O ASN A 19 -12.108 -1.680 7.399 1.00 0.00 O ATOM 43 CB ASN A 19 -14.206 -0.059 8.916 1.00 0.00 C ATOM 44 CG ASN A 19 -15.581 0.521 9.175 1.00 0.00 C ATOM 45 OD1 ASN A 19 -15.987 1.499 8.551 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.308 -0.086 10.100 1.00 0.00 N ATOM 0 H ASN A 19 -15.394 -1.160 7.017 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.771 1.120 7.180 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.207 -1.112 9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.483 0.442 9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.244 0.255 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.932 -0.895 10.594 1.00 0.00 H new ATOM 53 N PRO A 20 -11.393 0.444 7.206 1.00 0.00 N ATOM 54 CA PRO A 20 -9.982 0.127 6.995 1.00 0.00 C ATOM 55 C PRO A 20 -9.341 -0.509 8.223 1.00 0.00 C ATOM 56 O PRO A 20 -8.297 -1.150 8.131 1.00 0.00 O ATOM 57 CB PRO A 20 -9.355 1.494 6.700 1.00 0.00 C ATOM 58 CG PRO A 20 -10.284 2.492 7.307 1.00 0.00 C ATOM 59 CD PRO A 20 -11.647 1.886 7.262 1.00 0.00 C ATOM 0 HA PRO A 20 -9.839 -0.602 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.358 1.571 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.250 1.656 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.994 2.718 8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.259 3.431 6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.232 2.154 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.207 2.227 6.391 1.00 0.00 H new ATOM 67 N GLU A 21 -9.987 -0.339 9.368 1.00 0.00 N ATOM 68 CA GLU A 21 -9.464 -0.841 10.631 1.00 0.00 C ATOM 69 C GLU A 21 -9.838 -2.300 10.817 1.00 0.00 C ATOM 70 O GLU A 21 -9.139 -3.052 11.491 1.00 0.00 O ATOM 71 CB GLU A 21 -10.017 -0.015 11.785 1.00 0.00 C ATOM 72 CG GLU A 21 -10.049 1.467 11.479 1.00 0.00 C ATOM 73 CD GLU A 21 -10.544 2.296 12.641 1.00 0.00 C ATOM 74 OE1 GLU A 21 -9.714 2.715 13.472 1.00 0.00 O ATOM 75 OE2 GLU A 21 -11.765 2.540 12.723 1.00 0.00 O ATOM 0 H GLU A 21 -10.881 0.146 9.448 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.377 -0.758 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.026 -0.355 12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.408 -0.186 12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.048 1.798 11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.691 1.641 10.615 1.00 0.00 H new ATOM 82 N ASP A 22 -10.946 -2.691 10.205 1.00 0.00 N ATOM 83 CA ASP A 22 -11.431 -4.067 10.303 1.00 0.00 C ATOM 84 C ASP A 22 -10.618 -5.000 9.416 1.00 0.00 C ATOM 85 O ASP A 22 -10.763 -6.221 9.479 1.00 0.00 O ATOM 86 CB ASP A 22 -12.911 -4.154 9.933 1.00 0.00 C ATOM 87 CG ASP A 22 -13.804 -3.520 10.976 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.806 -3.996 12.130 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.498 -2.535 10.653 1.00 0.00 O ATOM 0 H ASP A 22 -11.529 -2.078 9.635 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.311 -4.382 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.072 -3.663 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.190 -5.200 9.807 1.00 0.00 H new ATOM 94 N PHE A 23 -9.772 -4.417 8.583 1.00 0.00 N ATOM 95 CA PHE A 23 -8.851 -5.188 7.773 1.00 0.00 C ATOM 96 C PHE A 23 -7.736 -5.740 8.647 1.00 0.00 C ATOM 97 O PHE A 23 -7.293 -5.095 9.597 1.00 0.00 O ATOM 98 CB PHE A 23 -8.255 -4.328 6.657 1.00 0.00 C ATOM 99 CG PHE A 23 -9.180 -4.105 5.494 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.189 -3.162 5.563 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.028 -4.834 4.326 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.032 -2.949 4.490 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.869 -4.628 3.250 1.00 0.00 C ATOM 104 CZ PHE A 23 -10.873 -3.684 3.333 1.00 0.00 C ATOM 0 H PHE A 23 -9.706 -3.408 8.452 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.400 -6.012 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.970 -3.361 7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.342 -4.802 6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.319 -2.585 6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.243 -5.572 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.815 -2.208 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.741 -5.204 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.533 -3.521 2.494 1.00 0.00 H new ATOM 114 N LYS A 24 -7.279 -6.928 8.302 1.00 0.00 N ATOM 115 CA LYS A 24 -6.220 -7.594 9.038 1.00 0.00 C ATOM 116 C LYS A 24 -4.895 -6.941 8.679 1.00 0.00 C ATOM 117 O LYS A 24 -3.896 -7.079 9.386 1.00 0.00 O ATOM 118 CB LYS A 24 -6.208 -9.089 8.694 1.00 0.00 C ATOM 119 CG LYS A 24 -5.351 -9.942 9.615 1.00 0.00 C ATOM 120 CD LYS A 24 -5.545 -11.424 9.327 1.00 0.00 C ATOM 121 CE LYS A 24 -4.812 -12.295 10.336 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.406 -12.193 11.696 1.00 0.00 N ATOM 0 H LYS A 24 -7.630 -7.459 7.505 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.386 -7.499 10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.231 -9.463 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.851 -9.210 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.301 -9.678 9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.609 -9.733 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.609 -11.662 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.186 -11.649 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.839 -13.333 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.763 -12.000 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.042 -12.963 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.150 -11.278 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.441 -12.266 11.629 1.00 0.00 H new ATOM 136 N VAL A 25 -4.909 -6.215 7.565 1.00 0.00 N ATOM 137 CA VAL A 25 -3.744 -5.488 7.104 1.00 0.00 C ATOM 138 C VAL A 25 -3.552 -4.200 7.888 1.00 0.00 C ATOM 139 O VAL A 25 -2.481 -3.608 7.840 1.00 0.00 O ATOM 140 CB VAL A 25 -3.849 -5.133 5.602 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.536 -6.235 4.827 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.563 -3.806 5.383 1.00 0.00 C ATOM 0 H VAL A 25 -5.727 -6.118 6.963 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.890 -6.147 7.261 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.831 -5.030 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.595 -5.957 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.967 -7.159 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.542 -6.384 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.616 -3.593 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.572 -3.864 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.013 -3.010 5.885 1.00 0.00 H new ATOM 152 N PHE A 26 -4.589 -3.770 8.602 1.00 0.00 N ATOM 153 CA PHE A 26 -4.556 -2.492 9.305 1.00 0.00 C ATOM 154 C PHE A 26 -3.349 -2.418 10.234 1.00 0.00 C ATOM 155 O PHE A 26 -2.519 -1.524 10.110 1.00 0.00 O ATOM 156 CB PHE A 26 -5.849 -2.276 10.097 1.00 0.00 C ATOM 157 CG PHE A 26 -5.900 -0.959 10.821 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.034 0.229 10.118 1.00 0.00 C ATOM 159 CD2 PHE A 26 -5.810 -0.909 12.203 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.077 1.440 10.780 1.00 0.00 C ATOM 161 CE2 PHE A 26 -5.853 0.299 12.870 1.00 0.00 C ATOM 162 CZ PHE A 26 -5.986 1.475 12.158 1.00 0.00 C ATOM 0 H PHE A 26 -5.461 -4.288 8.709 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.469 -1.700 8.561 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.697 -2.339 9.415 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.961 -3.083 10.821 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.106 0.207 9.041 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.705 -1.825 12.765 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.182 2.358 10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.783 0.324 13.947 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.019 2.421 12.678 1.00 0.00 H new ATOM 172 N LYS A 27 -3.238 -3.388 11.131 1.00 0.00 N ATOM 173 CA LYS A 27 -2.141 -3.424 12.092 1.00 0.00 C ATOM 174 C LYS A 27 -0.811 -3.635 11.381 1.00 0.00 C ATOM 175 O LYS A 27 0.205 -3.073 11.776 1.00 0.00 O ATOM 176 CB LYS A 27 -2.388 -4.527 13.115 1.00 0.00 C ATOM 177 CG LYS A 27 -2.348 -4.046 14.556 1.00 0.00 C ATOM 178 CD LYS A 27 -0.931 -3.777 15.033 1.00 0.00 C ATOM 179 CE LYS A 27 -0.056 -5.002 14.864 1.00 0.00 C ATOM 180 NZ LYS A 27 1.188 -4.927 15.676 1.00 0.00 N ATOM 0 H LYS A 27 -3.896 -4.163 11.214 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.095 -2.467 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.360 -4.980 12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.640 -5.308 12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.940 -3.136 14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.810 -4.794 15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.507 -2.944 14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.947 -3.480 16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.620 -5.890 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.206 -5.115 13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.979 -5.334 15.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.397 -3.933 15.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.059 -5.461 16.559 1.00 0.00 H new ATOM 194 N TYR A 28 -0.829 -4.421 10.314 1.00 0.00 N ATOM 195 CA TYR A 28 0.381 -4.692 9.547 1.00 0.00 C ATOM 196 C TYR A 28 0.889 -3.439 8.842 1.00 0.00 C ATOM 197 O TYR A 28 2.072 -3.119 8.914 1.00 0.00 O ATOM 198 CB TYR A 28 0.138 -5.801 8.529 1.00 0.00 C ATOM 199 CG TYR A 28 0.409 -7.183 9.068 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.689 -7.715 9.028 1.00 0.00 C ATOM 201 CD2 TYR A 28 -0.606 -7.952 9.618 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.955 -8.975 9.516 1.00 0.00 C ATOM 203 CE2 TYR A 28 -0.350 -9.216 10.114 1.00 0.00 C ATOM 204 CZ TYR A 28 0.933 -9.724 10.062 1.00 0.00 C ATOM 205 OH TYR A 28 1.195 -10.985 10.553 1.00 0.00 O ATOM 0 H TYR A 28 -1.667 -4.882 9.959 1.00 0.00 H new ATOM 0 HA TYR A 28 1.146 -5.019 10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.896 -5.749 8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.771 -5.629 7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.493 -7.130 8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.610 -7.557 9.659 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.957 -9.374 9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.149 -9.804 10.540 1.00 0.00 H new ATOM 0 HH TYR A 28 0.368 -11.378 10.903 1.00 0.00 H new ATOM 215 N MET A 29 0.004 -2.735 8.158 1.00 0.00 N ATOM 216 CA MET A 29 0.387 -1.504 7.481 1.00 0.00 C ATOM 217 C MET A 29 0.675 -0.394 8.486 1.00 0.00 C ATOM 218 O MET A 29 1.513 0.468 8.241 1.00 0.00 O ATOM 219 CB MET A 29 -0.691 -1.069 6.491 1.00 0.00 C ATOM 220 CG MET A 29 -0.885 -2.061 5.360 1.00 0.00 C ATOM 221 SD MET A 29 -2.050 -1.490 4.117 1.00 0.00 S ATOM 222 CE MET A 29 -2.013 -2.872 2.985 1.00 0.00 C ATOM 0 H MET A 29 -0.978 -2.990 8.056 1.00 0.00 H new ATOM 0 HA MET A 29 1.302 -1.701 6.923 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.635 -0.941 7.021 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.425 -0.098 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.077 -2.256 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.236 -3.008 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.573 -2.620 2.084 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.980 -3.097 2.719 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.464 -3.744 3.460 1.00 0.00 H new ATOM 232 N LYS A 30 -0.006 -0.425 9.624 1.00 0.00 N ATOM 233 CA LYS A 30 0.251 0.543 10.682 1.00 0.00 C ATOM 234 C LYS A 30 1.634 0.347 11.284 1.00 0.00 C ATOM 235 O LYS A 30 2.293 1.315 11.665 1.00 0.00 O ATOM 236 CB LYS A 30 -0.819 0.470 11.772 1.00 0.00 C ATOM 237 CG LYS A 30 -2.112 1.197 11.413 1.00 0.00 C ATOM 238 CD LYS A 30 -1.880 2.668 11.097 1.00 0.00 C ATOM 239 CE LYS A 30 -1.381 3.419 12.313 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.112 4.850 12.018 1.00 0.00 N ATOM 0 H LYS A 30 -0.736 -1.105 9.837 1.00 0.00 H new ATOM 0 HA LYS A 30 0.212 1.535 10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.046 -0.576 11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.417 0.895 12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.572 0.711 10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.816 1.112 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.155 2.759 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.808 3.117 10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.120 3.347 13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.469 2.948 12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.462 5.438 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.088 4.995 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.598 5.121 11.139 1.00 0.00 H new ATOM 254 N ILE A 31 2.087 -0.895 11.370 1.00 0.00 N ATOM 255 CA ILE A 31 3.432 -1.153 11.852 1.00 0.00 C ATOM 256 C ILE A 31 4.429 -1.075 10.707 1.00 0.00 C ATOM 257 O ILE A 31 5.613 -0.932 10.933 1.00 0.00 O ATOM 258 CB ILE A 31 3.567 -2.507 12.572 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.414 -3.667 11.589 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.550 -2.598 13.694 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.394 -5.026 12.251 1.00 0.00 C ATOM 0 H ILE A 31 1.552 -1.726 11.117 1.00 0.00 H new ATOM 0 HA ILE A 31 3.650 -0.378 12.587 1.00 0.00 H new ATOM 0 HB ILE A 31 4.565 -2.577 13.004 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.491 -3.534 11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.234 -3.634 10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.651 -3.558 14.199 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.723 -1.792 14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.545 -2.509 13.282 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.283 -5.799 11.491 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.327 -5.181 12.792 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.557 -5.079 12.948 1.00 0.00 H new ATOM 273 N LEU A 32 3.942 -1.178 9.477 1.00 0.00 N ATOM 274 CA LEU A 32 4.768 -0.903 8.308 1.00 0.00 C ATOM 275 C LEU A 32 5.166 0.565 8.359 1.00 0.00 C ATOM 276 O LEU A 32 6.345 0.911 8.283 1.00 0.00 O ATOM 277 CB LEU A 32 3.976 -1.220 7.028 1.00 0.00 C ATOM 278 CG LEU A 32 4.772 -1.308 5.716 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.900 -1.915 4.630 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.275 0.060 5.268 1.00 0.00 C ATOM 0 H LEU A 32 2.982 -1.449 9.263 1.00 0.00 H new ATOM 0 HA LEU A 32 5.663 -1.525 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.461 -2.169 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.208 -0.456 6.907 1.00 0.00 H new ATOM 0 HG LEU A 32 5.641 -1.941 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.466 -1.976 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.587 -2.915 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.020 -1.290 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.833 -0.044 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.427 0.726 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.926 0.478 6.036 1.00 0.00 H new ATOM 292 N GLU A 33 4.144 1.403 8.511 1.00 0.00 N ATOM 293 CA GLU A 33 4.288 2.823 8.761 1.00 0.00 C ATOM 294 C GLU A 33 5.394 3.098 9.771 1.00 0.00 C ATOM 295 O GLU A 33 6.312 3.883 9.533 1.00 0.00 O ATOM 296 CB GLU A 33 2.970 3.308 9.337 1.00 0.00 C ATOM 297 CG GLU A 33 2.720 4.779 9.173 1.00 0.00 C ATOM 298 CD GLU A 33 1.446 5.222 9.858 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.424 5.288 11.107 1.00 0.00 O ATOM 300 OE2 GLU A 33 0.455 5.493 9.157 1.00 0.00 O ATOM 0 H GLU A 33 3.171 1.100 8.461 1.00 0.00 H new ATOM 0 HA GLU A 33 4.545 3.334 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.157 2.759 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.941 3.064 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.563 5.337 9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.662 5.020 8.112 1.00 0.00 H new ATOM 307 N GLU A 34 5.277 2.428 10.901 1.00 0.00 N ATOM 308 CA GLU A 34 6.182 2.610 12.019 1.00 0.00 C ATOM 309 C GLU A 34 7.552 1.984 11.760 1.00 0.00 C ATOM 310 O GLU A 34 8.555 2.685 11.690 1.00 0.00 O ATOM 311 CB GLU A 34 5.541 1.999 13.264 1.00 0.00 C ATOM 312 CG GLU A 34 6.445 1.953 14.479 1.00 0.00 C ATOM 313 CD GLU A 34 5.678 1.599 15.732 1.00 0.00 C ATOM 314 OE1 GLU A 34 4.948 2.476 16.246 1.00 0.00 O ATOM 315 OE2 GLU A 34 5.790 0.450 16.204 1.00 0.00 O ATOM 0 H GLU A 34 4.546 1.737 11.070 1.00 0.00 H new ATOM 0 HA GLU A 34 6.350 3.677 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.647 2.570 13.514 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.217 0.985 13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.236 1.220 14.317 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.929 2.921 14.610 1.00 0.00 H new ATOM 322 N ALA A 35 7.564 0.670 11.585 1.00 0.00 N ATOM 323 CA ALA A 35 8.787 -0.127 11.557 1.00 0.00 C ATOM 324 C ALA A 35 9.799 0.367 10.526 1.00 0.00 C ATOM 325 O ALA A 35 10.993 0.444 10.817 1.00 0.00 O ATOM 326 CB ALA A 35 8.437 -1.587 11.301 1.00 0.00 C ATOM 0 H ALA A 35 6.715 0.119 11.457 1.00 0.00 H new ATOM 0 HA ALA A 35 9.265 -0.022 12.531 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.350 -2.182 11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.786 -1.950 12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.924 -1.676 10.343 1.00 0.00 H new ATOM 332 N MET A 36 9.325 0.717 9.335 1.00 0.00 N ATOM 333 CA MET A 36 10.214 1.136 8.256 1.00 0.00 C ATOM 334 C MET A 36 11.007 2.386 8.629 1.00 0.00 C ATOM 335 O MET A 36 12.181 2.513 8.278 1.00 0.00 O ATOM 336 CB MET A 36 9.408 1.379 6.983 1.00 0.00 C ATOM 337 CG MET A 36 8.679 0.140 6.501 1.00 0.00 C ATOM 338 SD MET A 36 9.798 -1.214 6.092 1.00 0.00 S ATOM 339 CE MET A 36 8.627 -2.479 5.610 1.00 0.00 C ATOM 0 H MET A 36 8.334 0.719 9.092 1.00 0.00 H new ATOM 0 HA MET A 36 10.931 0.334 8.082 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.684 2.173 7.164 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.077 1.730 6.197 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.983 -0.190 7.273 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.085 0.392 5.623 1.00 0.00 H new ATOM 0 HE1 MET A 36 9.165 -3.384 5.327 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.963 -2.698 6.446 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.039 -2.127 4.763 1.00 0.00 H new ATOM 349 N GLU A 37 10.369 3.308 9.337 1.00 0.00 N ATOM 350 CA GLU A 37 11.044 4.524 9.773 1.00 0.00 C ATOM 351 C GLU A 37 11.648 4.322 11.163 1.00 0.00 C ATOM 352 O GLU A 37 12.603 4.995 11.545 1.00 0.00 O ATOM 353 CB GLU A 37 10.067 5.707 9.751 1.00 0.00 C ATOM 354 CG GLU A 37 10.735 7.081 9.749 1.00 0.00 C ATOM 355 CD GLU A 37 11.103 7.574 11.134 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.238 7.531 12.036 1.00 0.00 O ATOM 357 OE2 GLU A 37 12.255 8.022 11.328 1.00 0.00 O ATOM 0 H GLU A 37 9.392 3.239 9.620 1.00 0.00 H new ATOM 0 HA GLU A 37 11.858 4.750 9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.435 5.623 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.412 5.637 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.635 7.038 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.065 7.802 9.281 1.00 0.00 H new ATOM 364 N ASN A 38 11.094 3.375 11.908 1.00 0.00 N ATOM 365 CA ASN A 38 11.583 3.051 13.247 1.00 0.00 C ATOM 366 C ASN A 38 12.999 2.504 13.171 1.00 0.00 C ATOM 367 O ASN A 38 13.809 2.717 14.075 1.00 0.00 O ATOM 368 CB ASN A 38 10.664 2.029 13.923 1.00 0.00 C ATOM 369 CG ASN A 38 11.162 1.608 15.293 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.923 0.647 15.422 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.730 2.311 16.325 1.00 0.00 N ATOM 0 H ASN A 38 10.299 2.812 11.607 1.00 0.00 H new ATOM 0 HA ASN A 38 11.586 3.964 13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.665 2.453 14.019 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.577 1.148 13.287 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.026 2.065 17.270 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.101 3.100 16.177 1.00 0.00 H new ATOM 378 N ASP A 39 13.283 1.799 12.084 1.00 0.00 N ATOM 379 CA ASP A 39 14.617 1.290 11.818 1.00 0.00 C ATOM 380 C ASP A 39 15.621 2.438 11.860 1.00 0.00 C ATOM 381 O ASP A 39 15.381 3.514 11.306 1.00 0.00 O ATOM 382 CB ASP A 39 14.655 0.610 10.446 1.00 0.00 C ATOM 383 CG ASP A 39 15.905 -0.223 10.235 1.00 0.00 C ATOM 384 OD1 ASP A 39 17.014 0.344 10.247 1.00 0.00 O ATOM 385 OD2 ASP A 39 15.783 -1.453 10.067 1.00 0.00 O ATOM 0 H ASP A 39 12.597 1.566 11.366 1.00 0.00 H new ATOM 0 HA ASP A 39 14.879 0.557 12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.777 -0.027 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.595 1.370 9.667 1.00 0.00 H new ATOM 390 N THR A 40 16.732 2.197 12.537 1.00 0.00 N ATOM 391 CA THR A 40 17.762 3.206 12.732 1.00 0.00 C ATOM 392 C THR A 40 18.377 3.642 11.406 1.00 0.00 C ATOM 393 O THR A 40 18.833 4.780 11.267 1.00 0.00 O ATOM 394 CB THR A 40 18.866 2.689 13.675 1.00 0.00 C ATOM 395 OG1 THR A 40 19.211 1.339 13.336 1.00 0.00 O ATOM 396 CG2 THR A 40 18.412 2.752 15.127 1.00 0.00 C ATOM 0 H THR A 40 16.946 1.297 12.967 1.00 0.00 H new ATOM 0 HA THR A 40 17.282 4.072 13.188 1.00 0.00 H new ATOM 0 HB THR A 40 19.741 3.328 13.556 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.914 1.020 13.939 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.208 2.382 15.773 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.180 3.784 15.391 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.523 2.135 15.257 1.00 0.00 H new ATOM 404 N GLU A 41 18.383 2.733 10.437 1.00 0.00 N ATOM 405 CA GLU A 41 18.853 3.013 9.110 1.00 0.00 C ATOM 406 C GLU A 41 17.769 3.699 8.290 1.00 0.00 C ATOM 407 O GLU A 41 18.082 4.437 7.357 1.00 0.00 O ATOM 408 CB GLU A 41 19.230 1.700 8.450 1.00 0.00 C ATOM 409 CG GLU A 41 20.370 0.968 9.130 1.00 0.00 C ATOM 410 CD GLU A 41 20.654 -0.371 8.486 1.00 0.00 C ATOM 411 OE1 GLU A 41 21.159 -0.397 7.345 1.00 0.00 O ATOM 412 OE2 GLU A 41 20.366 -1.409 9.113 1.00 0.00 O ATOM 0 H GLU A 41 18.056 1.775 10.565 1.00 0.00 H new ATOM 0 HA GLU A 41 19.715 3.678 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.355 1.050 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 41 19.504 1.893 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.268 1.584 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.128 0.819 10.182 1.00 0.00 H new ATOM 419 N ASN A 42 16.504 3.467 8.670 1.00 0.00 N ATOM 420 CA ASN A 42 15.338 3.942 7.923 1.00 0.00 C ATOM 421 C ASN A 42 15.593 3.871 6.424 1.00 0.00 C ATOM 422 O ASN A 42 15.789 4.884 5.745 1.00 0.00 O ATOM 423 CB ASN A 42 14.878 5.347 8.372 1.00 0.00 C ATOM 424 CG ASN A 42 15.971 6.402 8.367 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.165 7.110 7.379 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.679 6.530 9.479 1.00 0.00 N ATOM 0 H ASN A 42 16.263 2.941 9.510 1.00 0.00 H new ATOM 0 HA ASN A 42 14.509 3.272 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.070 5.676 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.465 5.275 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.415 7.234 9.537 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.489 5.924 10.277 1.00 0.00 H new ATOM 433 N LEU A 43 15.572 2.642 5.916 1.00 0.00 N ATOM 434 CA LEU A 43 15.897 2.351 4.520 1.00 0.00 C ATOM 435 C LEU A 43 14.914 3.010 3.564 1.00 0.00 C ATOM 436 O LEU A 43 15.078 2.933 2.348 1.00 0.00 O ATOM 437 CB LEU A 43 15.885 0.840 4.288 1.00 0.00 C ATOM 438 CG LEU A 43 16.795 0.031 5.211 1.00 0.00 C ATOM 439 CD1 LEU A 43 16.608 -1.458 4.962 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.249 0.430 5.010 1.00 0.00 C ATOM 0 H LEU A 43 15.328 1.816 6.462 1.00 0.00 H new ATOM 0 HA LEU A 43 16.890 2.755 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.863 0.479 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.176 0.645 3.256 1.00 0.00 H new ATOM 0 HG LEU A 43 16.522 0.246 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.262 -2.023 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.571 -1.732 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.857 -1.688 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.883 -0.156 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.538 0.243 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.370 1.490 5.234 1.00 0.00 H new ATOM 452 N ILE A 44 13.909 3.670 4.122 1.00 0.00 N ATOM 453 CA ILE A 44 12.864 4.298 3.332 1.00 0.00 C ATOM 454 C ILE A 44 13.441 5.361 2.392 1.00 0.00 C ATOM 455 O ILE A 44 12.875 5.643 1.339 1.00 0.00 O ATOM 456 CB ILE A 44 11.786 4.941 4.239 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.451 4.984 3.510 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.192 6.343 4.670 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.726 3.657 3.493 1.00 0.00 C ATOM 0 H ILE A 44 13.797 3.784 5.129 1.00 0.00 H new ATOM 0 HA ILE A 44 12.400 3.513 2.734 1.00 0.00 H new ATOM 0 HB ILE A 44 11.688 4.328 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.813 5.731 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.618 5.310 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.415 6.768 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.129 6.296 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.323 6.971 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.783 3.764 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.344 2.911 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.527 3.338 4.516 1.00 0.00 H new ATOM 471 N GLU A 45 14.582 5.940 2.767 1.00 0.00 N ATOM 472 CA GLU A 45 15.198 6.985 1.962 1.00 0.00 C ATOM 473 C GLU A 45 16.031 6.391 0.836 1.00 0.00 C ATOM 474 O GLU A 45 16.407 7.088 -0.105 1.00 0.00 O ATOM 475 CB GLU A 45 16.062 7.904 2.821 1.00 0.00 C ATOM 476 CG GLU A 45 15.285 8.623 3.907 1.00 0.00 C ATOM 477 CD GLU A 45 16.010 9.851 4.411 1.00 0.00 C ATOM 478 OE1 GLU A 45 16.997 9.705 5.156 1.00 0.00 O ATOM 479 OE2 GLU A 45 15.600 10.970 4.044 1.00 0.00 O ATOM 0 H GLU A 45 15.092 5.703 3.618 1.00 0.00 H new ATOM 0 HA GLU A 45 14.393 7.575 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.856 7.317 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.542 8.643 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.308 8.913 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.109 7.940 4.738 1.00 0.00 H new ATOM 486 N LYS A 46 16.310 5.102 0.935 1.00 0.00 N ATOM 487 CA LYS A 46 17.069 4.398 -0.087 1.00 0.00 C ATOM 488 C LYS A 46 16.127 3.774 -1.103 1.00 0.00 C ATOM 489 O LYS A 46 16.539 3.363 -2.189 1.00 0.00 O ATOM 490 CB LYS A 46 17.939 3.320 0.553 1.00 0.00 C ATOM 491 CG LYS A 46 19.093 3.890 1.354 1.00 0.00 C ATOM 492 CD LYS A 46 19.772 2.825 2.200 1.00 0.00 C ATOM 493 CE LYS A 46 20.966 3.387 2.955 1.00 0.00 C ATOM 494 NZ LYS A 46 22.048 3.841 2.039 1.00 0.00 N ATOM 0 H LYS A 46 16.020 4.517 1.719 1.00 0.00 H new ATOM 0 HA LYS A 46 17.714 5.112 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.322 2.702 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.332 2.667 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.821 4.335 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.728 4.689 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.055 2.411 2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.098 2.005 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.641 4.224 3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.359 2.626 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.917 4.008 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.225 3.109 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.759 4.723 1.570 1.00 0.00 H new ATOM 508 N VAL A 47 14.857 3.724 -0.741 1.00 0.00 N ATOM 509 CA VAL A 47 13.835 3.109 -1.567 1.00 0.00 C ATOM 510 C VAL A 47 12.647 4.064 -1.723 1.00 0.00 C ATOM 511 O VAL A 47 11.487 3.653 -1.799 1.00 0.00 O ATOM 512 CB VAL A 47 13.394 1.750 -0.970 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.756 1.928 0.400 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.470 0.997 -1.918 1.00 0.00 C ATOM 0 H VAL A 47 14.506 4.110 0.136 1.00 0.00 H new ATOM 0 HA VAL A 47 14.248 2.912 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 47 14.291 1.145 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.458 0.956 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.474 2.388 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.878 2.569 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.180 0.048 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.579 1.595 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.988 0.808 -2.858 1.00 0.00 H new ATOM 524 N ARG A 48 12.952 5.359 -1.736 1.00 0.00 N ATOM 525 CA ARG A 48 11.925 6.383 -1.843 1.00 0.00 C ATOM 526 C ARG A 48 11.012 6.135 -3.029 1.00 0.00 C ATOM 527 O ARG A 48 11.413 6.248 -4.190 1.00 0.00 O ATOM 528 CB ARG A 48 12.531 7.778 -1.933 1.00 0.00 C ATOM 529 CG ARG A 48 13.017 8.299 -0.598 1.00 0.00 C ATOM 530 CD ARG A 48 13.258 9.798 -0.655 1.00 0.00 C ATOM 531 NE ARG A 48 13.750 10.340 0.612 1.00 0.00 N ATOM 532 CZ ARG A 48 13.477 11.573 1.041 1.00 0.00 C ATOM 533 NH1 ARG A 48 12.685 12.364 0.328 1.00 0.00 N ATOM 534 NH2 ARG A 48 13.986 12.014 2.186 1.00 0.00 N ATOM 0 H ARG A 48 13.904 5.721 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 48 11.329 6.326 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.364 7.761 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.788 8.466 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.281 8.074 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.939 7.789 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.979 10.016 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.329 10.301 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 48 14.333 9.743 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.285 12.029 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.476 13.307 0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.589 11.409 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.773 12.958 2.509 1.00 0.00 H new ATOM 548 N GLY A 49 9.783 5.802 -2.707 1.00 0.00 N ATOM 549 CA GLY A 49 8.798 5.464 -3.704 1.00 0.00 C ATOM 550 C GLY A 49 7.448 5.233 -3.068 1.00 0.00 C ATOM 551 O GLY A 49 7.369 4.778 -1.935 1.00 0.00 O ATOM 0 H GLY A 49 9.440 5.758 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.727 6.267 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.110 4.568 -4.241 1.00 0.00 H new ATOM 555 N ILE A 50 6.387 5.557 -3.769 1.00 0.00 N ATOM 556 CA ILE A 50 5.056 5.409 -3.214 1.00 0.00 C ATOM 557 C ILE A 50 4.502 4.022 -3.502 1.00 0.00 C ATOM 558 O ILE A 50 4.483 3.572 -4.646 1.00 0.00 O ATOM 559 CB ILE A 50 4.110 6.488 -3.766 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.622 7.867 -3.358 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.688 6.266 -3.271 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.771 9.009 -3.855 1.00 0.00 C ATOM 0 H ILE A 50 6.415 5.923 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 50 5.127 5.534 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 50 4.091 6.424 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.678 7.915 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.637 7.993 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.037 7.042 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.336 5.289 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.671 6.309 -2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.201 9.954 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.735 8.989 -4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.761 8.910 -3.457 1.00 0.00 H new ATOM 574 N TYR A 51 4.064 3.349 -2.452 1.00 0.00 N ATOM 575 CA TYR A 51 3.550 1.996 -2.574 1.00 0.00 C ATOM 576 C TYR A 51 2.033 2.012 -2.478 1.00 0.00 C ATOM 577 O TYR A 51 1.473 2.397 -1.454 1.00 0.00 O ATOM 578 CB TYR A 51 4.120 1.093 -1.474 1.00 0.00 C ATOM 579 CG TYR A 51 5.593 1.301 -1.191 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.526 1.349 -2.219 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.048 1.459 0.111 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.868 1.546 -1.955 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.386 1.657 0.382 1.00 0.00 C ATOM 584 CZ TYR A 51 8.292 1.701 -0.653 1.00 0.00 C ATOM 585 OH TYR A 51 9.624 1.896 -0.384 1.00 0.00 O ATOM 0 H TYR A 51 4.054 3.719 -1.502 1.00 0.00 H new ATOM 0 HA TYR A 51 3.855 1.600 -3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.559 1.263 -0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.961 0.052 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.197 1.230 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.341 1.426 0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.581 1.578 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.721 1.777 1.402 1.00 0.00 H new ATOM 0 HH TYR A 51 9.988 2.564 -1.002 1.00 0.00 H new ATOM 595 N GLY A 52 1.375 1.613 -3.548 1.00 0.00 N ATOM 596 CA GLY A 52 -0.067 1.543 -3.539 1.00 0.00 C ATOM 597 C GLY A 52 -0.541 0.142 -3.246 1.00 0.00 C ATOM 598 O GLY A 52 -0.340 -0.764 -4.048 1.00 0.00 O ATOM 0 H GLY A 52 1.814 1.335 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.463 2.228 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.456 1.867 -4.504 1.00 0.00 H new ATOM 602 N PHE A 53 -1.142 -0.055 -2.093 1.00 0.00 N ATOM 603 CA PHE A 53 -1.603 -1.380 -1.711 1.00 0.00 C ATOM 604 C PHE A 53 -3.098 -1.539 -1.939 1.00 0.00 C ATOM 605 O PHE A 53 -3.918 -1.030 -1.172 1.00 0.00 O ATOM 606 CB PHE A 53 -1.246 -1.682 -0.257 1.00 0.00 C ATOM 607 CG PHE A 53 0.075 -2.382 -0.100 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.266 -1.719 -0.342 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.120 -3.711 0.289 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.478 -2.367 -0.198 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.328 -4.366 0.434 1.00 0.00 C ATOM 612 CZ PHE A 53 2.509 -3.693 0.192 1.00 0.00 C ATOM 0 H PHE A 53 -1.324 0.676 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.091 -2.101 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.223 -0.748 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.030 -2.299 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.248 -0.683 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.801 -4.242 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.400 -1.838 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.348 -5.403 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.455 -4.201 0.307 1.00 0.00 H new ATOM 622 N LYS A 54 -3.437 -2.242 -3.009 1.00 0.00 N ATOM 623 CA LYS A 54 -4.818 -2.572 -3.312 1.00 0.00 C ATOM 624 C LYS A 54 -5.187 -3.878 -2.627 1.00 0.00 C ATOM 625 O LYS A 54 -4.859 -4.960 -3.116 1.00 0.00 O ATOM 626 CB LYS A 54 -5.022 -2.715 -4.821 1.00 0.00 C ATOM 627 CG LYS A 54 -4.950 -1.418 -5.603 1.00 0.00 C ATOM 628 CD LYS A 54 -5.075 -1.690 -7.094 1.00 0.00 C ATOM 629 CE LYS A 54 -5.040 -0.412 -7.911 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.027 -0.693 -9.372 1.00 0.00 N ATOM 0 H LYS A 54 -2.764 -2.598 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.456 -1.767 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.269 -3.399 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.994 -3.176 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.747 -0.747 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.006 -0.914 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.264 -2.346 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.008 -2.219 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.908 0.200 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.156 0.167 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.003 0.204 -9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.186 -1.256 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.883 -1.223 -9.631 1.00 0.00 H new ATOM 644 N VAL A 55 -5.857 -3.777 -1.496 1.00 0.00 N ATOM 645 CA VAL A 55 -6.216 -4.949 -0.719 1.00 0.00 C ATOM 646 C VAL A 55 -7.657 -5.354 -1.015 1.00 0.00 C ATOM 647 O VAL A 55 -8.542 -4.507 -1.081 1.00 0.00 O ATOM 648 CB VAL A 55 -6.048 -4.688 0.790 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.128 -5.982 1.582 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.729 -3.983 1.061 1.00 0.00 C ATOM 0 H VAL A 55 -6.165 -2.892 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.546 -5.760 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.865 -4.043 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.006 -5.767 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.098 -6.451 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.338 -6.658 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.625 -3.805 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.905 -4.607 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.710 -3.030 0.532 1.00 0.00 H new ATOM 660 N ARG A 56 -7.882 -6.641 -1.216 1.00 0.00 N ATOM 661 CA ARG A 56 -9.214 -7.143 -1.528 1.00 0.00 C ATOM 662 C ARG A 56 -9.613 -8.239 -0.549 1.00 0.00 C ATOM 663 O ARG A 56 -8.812 -8.640 0.294 1.00 0.00 O ATOM 664 CB ARG A 56 -9.254 -7.692 -2.954 1.00 0.00 C ATOM 665 CG ARG A 56 -8.709 -6.731 -3.997 1.00 0.00 C ATOM 666 CD ARG A 56 -8.926 -7.262 -5.402 1.00 0.00 C ATOM 667 NE ARG A 56 -10.338 -7.229 -5.775 1.00 0.00 N ATOM 668 CZ ARG A 56 -11.096 -8.306 -5.981 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.602 -9.523 -5.787 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.356 -8.163 -6.367 1.00 0.00 N ATOM 0 H ARG A 56 -7.160 -7.360 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.919 -6.316 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.681 -8.619 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.284 -7.943 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.197 -5.762 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.644 -6.571 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.348 -6.668 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.555 -8.285 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.776 -6.315 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.637 -9.638 -5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.188 -10.343 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.744 -7.230 -6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.937 -8.986 -6.525 1.00 0.00 H new ATOM 684 N ASN A 57 -10.849 -8.721 -0.675 1.00 0.00 N ATOM 685 CA ASN A 57 -11.362 -9.810 0.160 1.00 0.00 C ATOM 686 C ASN A 57 -11.285 -9.469 1.643 1.00 0.00 C ATOM 687 O ASN A 57 -10.897 -10.302 2.465 1.00 0.00 O ATOM 688 CB ASN A 57 -10.605 -11.112 -0.117 1.00 0.00 C ATOM 689 CG ASN A 57 -10.986 -11.737 -1.444 1.00 0.00 C ATOM 690 OD1 ASN A 57 -12.123 -11.618 -1.899 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.037 -12.406 -2.079 1.00 0.00 N ATOM 0 H ASN A 57 -11.522 -8.370 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.411 -9.947 -0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.533 -10.914 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.805 -11.822 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.237 -12.845 -2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.106 -12.483 -1.670 1.00 0.00 H new ATOM 698 N GLY A 58 -11.652 -8.240 1.973 1.00 0.00 N ATOM 699 CA GLY A 58 -11.681 -7.810 3.359 1.00 0.00 C ATOM 700 C GLY A 58 -12.869 -8.375 4.122 1.00 0.00 C ATOM 701 O GLY A 58 -13.468 -9.358 3.684 1.00 0.00 O ATOM 0 H GLY A 58 -11.933 -7.526 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.758 -8.118 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.714 -6.721 3.397 1.00 0.00 H new ATOM 705 N PRO A 59 -13.232 -7.751 5.265 1.00 0.00 N ATOM 706 CA PRO A 59 -14.318 -8.203 6.146 1.00 0.00 C ATOM 707 C PRO A 59 -15.528 -8.757 5.396 1.00 0.00 C ATOM 708 O PRO A 59 -15.889 -9.925 5.545 1.00 0.00 O ATOM 709 CB PRO A 59 -14.717 -6.930 6.892 1.00 0.00 C ATOM 710 CG PRO A 59 -13.550 -6.001 6.813 1.00 0.00 C ATOM 711 CD PRO A 59 -12.577 -6.551 5.805 1.00 0.00 C ATOM 0 HA PRO A 59 -13.986 -9.024 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.601 -6.479 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.965 -7.152 7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.878 -5.004 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.073 -5.906 7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.370 -5.825 5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.623 -6.797 6.270 1.00 0.00 H new ATOM 719 N ASN A 60 -16.140 -7.917 4.579 1.00 0.00 N ATOM 720 CA ASN A 60 -17.313 -8.308 3.809 1.00 0.00 C ATOM 721 C ASN A 60 -16.963 -8.414 2.330 1.00 0.00 C ATOM 722 O ASN A 60 -17.780 -8.109 1.459 1.00 0.00 O ATOM 723 CB ASN A 60 -18.447 -7.291 4.013 1.00 0.00 C ATOM 724 CG ASN A 60 -18.102 -5.898 3.509 1.00 0.00 C ATOM 725 OD1 ASN A 60 -16.943 -5.485 3.523 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.110 -5.165 3.063 1.00 0.00 N ATOM 0 H ASN A 60 -15.843 -6.953 4.430 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.650 -9.284 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.340 -7.645 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.690 -7.236 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.940 -4.222 2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.057 -5.544 3.068 1.00 0.00 H new ATOM 733 N GLY A 61 -15.744 -8.857 2.052 1.00 0.00 N ATOM 734 CA GLY A 61 -15.255 -8.858 0.690 1.00 0.00 C ATOM 735 C GLY A 61 -14.863 -7.462 0.265 1.00 0.00 C ATOM 736 O GLY A 61 -14.932 -7.109 -0.910 1.00 0.00 O ATOM 0 H GLY A 61 -15.087 -9.215 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.396 -9.524 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.024 -9.245 0.022 1.00 0.00 H new ATOM 740 N ALA A 62 -14.463 -6.670 1.248 1.00 0.00 N ATOM 741 CA ALA A 62 -14.140 -5.269 1.033 1.00 0.00 C ATOM 742 C ALA A 62 -12.790 -5.089 0.375 1.00 0.00 C ATOM 743 O ALA A 62 -11.859 -5.865 0.588 1.00 0.00 O ATOM 744 CB ALA A 62 -14.179 -4.523 2.356 1.00 0.00 C ATOM 0 H ALA A 62 -14.354 -6.979 2.214 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.888 -4.858 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.936 -3.474 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.177 -4.600 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.452 -4.959 3.041 1.00 0.00 H new ATOM 750 N GLU A 63 -12.713 -4.054 -0.432 1.00 0.00 N ATOM 751 CA GLU A 63 -11.491 -3.677 -1.095 1.00 0.00 C ATOM 752 C GLU A 63 -10.933 -2.397 -0.482 1.00 0.00 C ATOM 753 O GLU A 63 -11.474 -1.312 -0.687 1.00 0.00 O ATOM 754 CB GLU A 63 -11.781 -3.463 -2.571 1.00 0.00 C ATOM 755 CG GLU A 63 -11.937 -4.747 -3.365 1.00 0.00 C ATOM 756 CD GLU A 63 -12.145 -4.488 -4.844 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.241 -4.030 -5.225 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.213 -4.741 -5.637 1.00 0.00 O ATOM 0 H GLU A 63 -13.505 -3.448 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.750 -4.468 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.693 -2.875 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.974 -2.875 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.050 -5.366 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.784 -5.312 -2.975 1.00 0.00 H new ATOM 765 N GLY A 64 -9.847 -2.531 0.255 1.00 0.00 N ATOM 766 CA GLY A 64 -9.229 -1.384 0.880 1.00 0.00 C ATOM 767 C GLY A 64 -8.031 -0.919 0.093 1.00 0.00 C ATOM 768 O GLY A 64 -7.403 -1.711 -0.608 1.00 0.00 O ATOM 0 H GLY A 64 -9.378 -3.419 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.954 -0.574 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.925 -1.639 1.895 1.00 0.00 H new ATOM 772 N TYR A 65 -7.713 0.356 0.182 1.00 0.00 N ATOM 773 CA TYR A 65 -6.590 0.894 -0.558 1.00 0.00 C ATOM 774 C TYR A 65 -5.781 1.854 0.304 1.00 0.00 C ATOM 775 O TYR A 65 -6.280 2.900 0.726 1.00 0.00 O ATOM 776 CB TYR A 65 -7.084 1.593 -1.827 1.00 0.00 C ATOM 777 CG TYR A 65 -5.971 2.091 -2.718 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.936 1.248 -3.097 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.947 3.403 -3.167 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.910 1.697 -3.900 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.924 3.861 -3.973 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.907 3.005 -4.336 1.00 0.00 C ATOM 783 OH TYR A 65 -2.888 3.458 -5.141 1.00 0.00 O ATOM 0 H TYR A 65 -8.213 1.036 0.756 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.937 0.069 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.708 0.901 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.716 2.435 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.935 0.223 -2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.741 4.077 -2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.112 1.028 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.921 4.885 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.038 4.402 -5.359 1.00 0.00 H new ATOM 793 N TRP A 66 -4.532 1.494 0.561 1.00 0.00 N ATOM 794 CA TRP A 66 -3.643 2.338 1.344 1.00 0.00 C ATOM 795 C TRP A 66 -2.443 2.731 0.507 1.00 0.00 C ATOM 796 O TRP A 66 -1.912 1.927 -0.261 1.00 0.00 O ATOM 797 CB TRP A 66 -3.159 1.654 2.631 1.00 0.00 C ATOM 798 CG TRP A 66 -4.228 1.409 3.655 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.493 2.171 4.757 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.156 0.317 3.693 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.525 1.621 5.475 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.949 0.483 4.842 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.393 -0.784 2.865 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -6.956 -0.411 5.186 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.397 -1.667 3.207 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.167 -1.477 4.358 1.00 0.00 C ATOM 0 H TRP A 66 -4.112 0.623 0.238 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.214 3.220 1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.702 0.700 2.369 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.379 2.268 3.081 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.967 3.075 5.025 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.913 1.998 6.339 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.802 -0.941 1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.551 -0.268 6.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.591 -2.520 2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -7.944 -2.187 4.598 1.00 0.00 H new ATOM 817 N VAL A 67 -2.038 3.971 0.647 1.00 0.00 N ATOM 818 CA VAL A 67 -0.889 4.487 -0.059 1.00 0.00 C ATOM 819 C VAL A 67 0.257 4.733 0.913 1.00 0.00 C ATOM 820 O VAL A 67 0.160 5.584 1.796 1.00 0.00 O ATOM 821 CB VAL A 67 -1.252 5.792 -0.796 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.014 6.544 -1.232 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.127 5.494 -2.000 1.00 0.00 C ATOM 0 H VAL A 67 -2.496 4.651 1.254 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.573 3.749 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.804 6.422 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.307 7.458 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.585 6.797 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.573 5.919 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.374 6.425 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.592 4.837 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.044 5.005 -1.671 1.00 0.00 H new ATOM 833 N ILE A 68 1.323 3.963 0.767 1.00 0.00 N ATOM 834 CA ILE A 68 2.505 4.143 1.590 1.00 0.00 C ATOM 835 C ILE A 68 3.460 5.097 0.890 1.00 0.00 C ATOM 836 O ILE A 68 4.148 4.723 -0.062 1.00 0.00 O ATOM 837 CB ILE A 68 3.246 2.814 1.894 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.334 1.802 2.602 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.477 3.084 2.750 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.355 1.094 1.690 1.00 0.00 C ATOM 0 H ILE A 68 1.393 3.207 0.086 1.00 0.00 H new ATOM 0 HA ILE A 68 2.170 4.549 2.545 1.00 0.00 H new ATOM 0 HB ILE A 68 3.550 2.382 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.956 1.055 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.776 2.319 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.989 2.144 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.151 3.755 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.173 3.546 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.752 0.399 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.704 1.828 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.903 0.545 0.924 1.00 0.00 H new ATOM 852 N ASN A 69 3.486 6.333 1.349 1.00 0.00 N ATOM 853 CA ASN A 69 4.307 7.350 0.721 1.00 0.00 C ATOM 854 C ASN A 69 5.721 7.306 1.278 1.00 0.00 C ATOM 855 O ASN A 69 6.007 7.852 2.347 1.00 0.00 O ATOM 856 CB ASN A 69 3.694 8.736 0.936 1.00 0.00 C ATOM 857 CG ASN A 69 4.359 9.814 0.093 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.557 9.758 -0.193 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.580 10.799 -0.319 1.00 0.00 N ATOM 0 H ASN A 69 2.949 6.657 2.153 1.00 0.00 H new ATOM 0 HA ASN A 69 4.349 7.150 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.631 8.699 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.775 9.004 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.966 11.548 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.593 10.810 -0.062 1.00 0.00 H new ATOM 866 N ALA A 70 6.604 6.648 0.547 1.00 0.00 N ATOM 867 CA ALA A 70 8.013 6.628 0.889 1.00 0.00 C ATOM 868 C ALA A 70 8.756 7.675 0.071 1.00 0.00 C ATOM 869 O ALA A 70 9.946 7.901 0.267 1.00 0.00 O ATOM 870 CB ALA A 70 8.596 5.249 0.650 1.00 0.00 C ATOM 0 H ALA A 70 6.367 6.118 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 70 8.126 6.864 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.654 5.251 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.071 4.520 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.483 4.983 -0.401 1.00 0.00 H new ATOM 876 N LYS A 71 8.028 8.322 -0.838 1.00 0.00 N ATOM 877 CA LYS A 71 8.591 9.356 -1.699 1.00 0.00 C ATOM 878 C LYS A 71 9.065 10.538 -0.860 1.00 0.00 C ATOM 879 O LYS A 71 10.149 11.076 -1.076 1.00 0.00 O ATOM 880 CB LYS A 71 7.531 9.814 -2.706 1.00 0.00 C ATOM 881 CG LYS A 71 8.006 10.876 -3.686 1.00 0.00 C ATOM 882 CD LYS A 71 8.941 10.306 -4.748 1.00 0.00 C ATOM 883 CE LYS A 71 8.235 9.276 -5.625 1.00 0.00 C ATOM 884 NZ LYS A 71 9.083 8.827 -6.765 1.00 0.00 N ATOM 0 H LYS A 71 7.036 8.144 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 71 9.446 8.949 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.185 8.947 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.672 10.202 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.143 11.331 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.519 11.668 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.321 11.116 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.802 9.844 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.960 8.413 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.309 9.704 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.805 7.865 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.955 9.474 -7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.082 8.827 -6.476 1.00 0.00 H new ATOM 898 N GLU A 72 8.248 10.912 0.119 1.00 0.00 N ATOM 899 CA GLU A 72 8.574 12.009 1.022 1.00 0.00 C ATOM 900 C GLU A 72 9.654 11.602 2.018 1.00 0.00 C ATOM 901 O GLU A 72 10.139 12.427 2.793 1.00 0.00 O ATOM 902 CB GLU A 72 7.335 12.455 1.793 1.00 0.00 C ATOM 903 CG GLU A 72 6.198 12.949 0.921 1.00 0.00 C ATOM 904 CD GLU A 72 5.080 13.555 1.745 1.00 0.00 C ATOM 905 OE1 GLU A 72 5.143 14.769 2.031 1.00 0.00 O ATOM 906 OE2 GLU A 72 4.144 12.822 2.132 1.00 0.00 O ATOM 0 H GLU A 72 7.349 10.468 0.308 1.00 0.00 H new ATOM 0 HA GLU A 72 8.944 12.832 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.978 11.620 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.618 13.249 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.575 13.692 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.807 12.121 0.330 1.00 0.00 H new ATOM 913 N GLY A 73 10.016 10.327 2.004 1.00 0.00 N ATOM 914 CA GLY A 73 10.993 9.821 2.948 1.00 0.00 C ATOM 915 C GLY A 73 10.372 9.512 4.293 1.00 0.00 C ATOM 916 O GLY A 73 11.077 9.290 5.277 1.00 0.00 O ATOM 0 H GLY A 73 9.650 9.632 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.454 8.919 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.788 10.555 3.076 1.00 0.00 H new ATOM 920 N LYS A 74 9.047 9.499 4.332 1.00 0.00 N ATOM 921 CA LYS A 74 8.324 9.228 5.565 1.00 0.00 C ATOM 922 C LYS A 74 8.031 7.741 5.703 1.00 0.00 C ATOM 923 O LYS A 74 8.344 7.132 6.724 1.00 0.00 O ATOM 924 CB LYS A 74 7.012 10.020 5.605 1.00 0.00 C ATOM 925 CG LYS A 74 7.198 11.532 5.563 1.00 0.00 C ATOM 926 CD LYS A 74 8.002 12.049 6.750 1.00 0.00 C ATOM 927 CE LYS A 74 7.282 11.828 8.074 1.00 0.00 C ATOM 928 NZ LYS A 74 5.989 12.563 8.145 1.00 0.00 N ATOM 0 H LYS A 74 8.451 9.673 3.523 1.00 0.00 H new ATOM 0 HA LYS A 74 8.953 9.541 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.391 9.717 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.468 9.756 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.703 11.808 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.221 12.016 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.970 11.548 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.198 13.113 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.099 10.762 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.925 12.150 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.628 12.536 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.135 13.552 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.300 12.115 7.508 1.00 0.00 H new ATOM 942 N GLY A 75 7.431 7.159 4.671 1.00 0.00 N ATOM 943 CA GLY A 75 7.064 5.759 4.732 1.00 0.00 C ATOM 944 C GLY A 75 5.756 5.560 5.466 1.00 0.00 C ATOM 945 O GLY A 75 5.568 4.567 6.164 1.00 0.00 O ATOM 0 H GLY A 75 7.194 7.630 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.980 5.360 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.852 5.197 5.232 1.00 0.00 H new ATOM 949 N LYS A 76 4.855 6.518 5.307 1.00 0.00 N ATOM 950 CA LYS A 76 3.584 6.497 6.013 1.00 0.00 C ATOM 951 C LYS A 76 2.504 5.926 5.111 1.00 0.00 C ATOM 952 O LYS A 76 2.569 6.072 3.893 1.00 0.00 O ATOM 953 CB LYS A 76 3.185 7.912 6.438 1.00 0.00 C ATOM 954 CG LYS A 76 2.831 8.814 5.261 1.00 0.00 C ATOM 955 CD LYS A 76 2.348 10.186 5.705 1.00 0.00 C ATOM 956 CE LYS A 76 1.112 10.098 6.585 1.00 0.00 C ATOM 957 NZ LYS A 76 0.587 11.442 6.941 1.00 0.00 N ATOM 0 H LYS A 76 4.982 7.322 4.693 1.00 0.00 H new ATOM 0 HA LYS A 76 3.692 5.874 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.331 7.855 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.005 8.361 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.705 8.930 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.057 8.336 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.145 10.692 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.126 10.793 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.338 9.531 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.353 9.550 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.256 11.338 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.316 11.974 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.332 11.956 6.074 1.00 0.00 H new ATOM 971 N VAL A 77 1.508 5.290 5.701 1.00 0.00 N ATOM 972 CA VAL A 77 0.425 4.725 4.924 1.00 0.00 C ATOM 973 C VAL A 77 -0.832 5.562 5.135 1.00 0.00 C ATOM 974 O VAL A 77 -1.231 5.849 6.267 1.00 0.00 O ATOM 975 CB VAL A 77 0.189 3.217 5.250 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.413 2.614 5.922 1.00 0.00 C ATOM 977 CG2 VAL A 77 -1.052 2.974 6.095 1.00 0.00 C ATOM 0 H VAL A 77 1.428 5.153 6.709 1.00 0.00 H new ATOM 0 HA VAL A 77 0.697 4.757 3.869 1.00 0.00 H new ATOM 0 HB VAL A 77 0.019 2.720 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.227 1.562 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.272 2.700 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.618 3.147 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.159 1.906 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.957 3.504 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.931 3.337 5.563 1.00 0.00 H new ATOM 987 N THR A 78 -1.401 6.018 4.040 1.00 0.00 N ATOM 988 CA THR A 78 -2.582 6.854 4.083 1.00 0.00 C ATOM 989 C THR A 78 -3.655 6.279 3.165 1.00 0.00 C ATOM 990 O THR A 78 -3.366 5.860 2.044 1.00 0.00 O ATOM 991 CB THR A 78 -2.236 8.314 3.692 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.422 9.114 3.592 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.466 8.371 2.381 1.00 0.00 C ATOM 0 H THR A 78 -1.060 5.821 3.099 1.00 0.00 H new ATOM 0 HA THR A 78 -2.968 6.869 5.102 1.00 0.00 H new ATOM 0 HB THR A 78 -1.603 8.717 4.482 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.178 10.031 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.240 9.409 2.137 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.536 7.811 2.480 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.070 7.934 1.585 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.884 6.221 3.664 1.00 0.00 N ATOM 1002 CA TYR A 79 -5.986 5.630 2.917 1.00 0.00 C ATOM 1003 C TYR A 79 -6.247 6.427 1.645 1.00 0.00 C ATOM 1004 O TYR A 79 -6.432 7.646 1.700 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.253 5.576 3.779 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.348 4.702 3.205 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -9.260 5.202 2.282 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -8.469 3.373 3.591 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -10.260 4.402 1.761 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -9.466 2.568 3.075 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.360 3.087 2.163 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.353 2.285 1.647 1.00 0.00 O ATOM 0 H TYR A 79 -5.142 6.577 4.584 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.711 4.611 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.990 5.208 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.638 6.588 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.186 6.232 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.772 2.962 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.959 4.805 1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.545 1.536 3.385 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.282 1.387 2.033 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.229 5.725 0.510 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.427 6.317 -0.823 1.00 0.00 C ATOM 1024 C ASN A 80 -5.196 7.106 -1.281 1.00 0.00 C ATOM 1025 O ASN A 80 -4.793 7.020 -2.440 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.676 7.208 -0.868 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.009 7.680 -2.273 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.490 8.694 -2.742 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -8.897 6.962 -2.945 1.00 0.00 N ATOM 0 H ASN A 80 -6.075 4.717 0.486 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.576 5.487 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.525 6.657 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.523 8.075 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.173 7.243 -3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.304 6.128 -2.522 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.613 7.866 -0.357 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.405 8.636 -0.613 1.00 0.00 C ATOM 1038 C GLY A 81 -3.603 9.832 -1.528 1.00 0.00 C ATOM 1039 O GLY A 81 -3.094 10.919 -1.251 1.00 0.00 O ATOM 0 H GLY A 81 -4.969 7.963 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.003 8.985 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.656 7.978 -1.053 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.360 9.643 -2.598 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.522 10.686 -3.594 1.00 0.00 C ATOM 1045 C GLY A 82 -3.238 10.918 -4.369 1.00 0.00 C ATOM 1046 O GLY A 82 -3.075 11.948 -5.023 1.00 0.00 O ATOM 0 H GLY A 82 -4.868 8.781 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.320 10.411 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.827 11.612 -3.107 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.333 9.952 -4.290 1.00 0.00 N ATOM 1051 CA GLU A 83 -1.025 10.050 -4.921 1.00 0.00 C ATOM 1052 C GLU A 83 -0.860 8.959 -5.967 1.00 0.00 C ATOM 1053 O GLU A 83 -1.601 7.976 -5.965 1.00 0.00 O ATOM 1054 CB GLU A 83 0.079 9.909 -3.869 1.00 0.00 C ATOM 1055 CG GLU A 83 0.098 11.022 -2.836 1.00 0.00 C ATOM 1056 CD GLU A 83 0.444 12.367 -3.439 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.627 12.582 -3.788 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.461 13.218 -3.572 1.00 0.00 O ATOM 0 H GLU A 83 -2.486 9.078 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.948 11.025 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.042 8.955 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.045 9.880 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.878 11.083 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.822 10.779 -2.058 1.00 0.00 H new ATOM 1065 N LYS A 84 0.113 9.134 -6.848 1.00 0.00 N ATOM 1066 CA LYS A 84 0.429 8.128 -7.847 1.00 0.00 C ATOM 1067 C LYS A 84 1.565 7.240 -7.351 1.00 0.00 C ATOM 1068 O LYS A 84 2.710 7.685 -7.240 1.00 0.00 O ATOM 1069 CB LYS A 84 0.815 8.784 -9.167 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.307 9.588 -9.794 1.00 0.00 C ATOM 1071 CD LYS A 84 0.064 10.043 -11.190 1.00 0.00 C ATOM 1072 CE LYS A 84 -1.025 10.880 -11.814 1.00 0.00 C ATOM 1073 NZ LYS A 84 -0.695 11.281 -13.208 1.00 0.00 N ATOM 0 H LYS A 84 0.699 9.968 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.457 7.515 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.671 9.438 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.134 8.012 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.213 8.984 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.529 10.455 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.988 10.619 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.258 9.172 -11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.959 10.319 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.187 11.772 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.471 11.854 -13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.183 11.839 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.566 10.431 -13.793 1.00 0.00 H new ATOM 1087 N PRO A 85 1.255 5.981 -7.016 1.00 0.00 N ATOM 1088 CA PRO A 85 2.246 5.022 -6.527 1.00 0.00 C ATOM 1089 C PRO A 85 3.252 4.618 -7.597 1.00 0.00 C ATOM 1090 O PRO A 85 2.885 4.321 -8.737 1.00 0.00 O ATOM 1091 CB PRO A 85 1.410 3.806 -6.108 1.00 0.00 C ATOM 1092 CG PRO A 85 0.003 4.289 -6.057 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.091 5.401 -7.056 1.00 0.00 C ATOM 0 HA PRO A 85 2.841 5.448 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.519 2.990 -6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.730 3.425 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.694 3.487 -6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.252 4.641 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.344 5.033 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.854 6.129 -6.782 1.00 0.00 H new ATOM 1101 N ASP A 86 4.525 4.624 -7.215 1.00 0.00 N ATOM 1102 CA ASP A 86 5.599 4.144 -8.078 1.00 0.00 C ATOM 1103 C ASP A 86 5.431 2.649 -8.315 1.00 0.00 C ATOM 1104 O ASP A 86 5.780 2.129 -9.374 1.00 0.00 O ATOM 1105 CB ASP A 86 6.972 4.418 -7.446 1.00 0.00 C ATOM 1106 CG ASP A 86 7.220 5.892 -7.175 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.593 6.447 -6.247 1.00 0.00 O ATOM 1108 OD2 ASP A 86 8.055 6.503 -7.874 1.00 0.00 O ATOM 0 H ASP A 86 4.840 4.959 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 86 5.546 4.676 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.052 3.864 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.752 4.040 -8.107 1.00 0.00 H new ATOM 1113 N VAL A 87 4.901 1.964 -7.304 1.00 0.00 N ATOM 1114 CA VAL A 87 4.554 0.552 -7.413 1.00 0.00 C ATOM 1115 C VAL A 87 3.248 0.264 -6.682 1.00 0.00 C ATOM 1116 O VAL A 87 3.043 0.708 -5.554 1.00 0.00 O ATOM 1117 CB VAL A 87 5.658 -0.383 -6.859 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.832 -0.478 -7.810 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.126 0.066 -5.485 1.00 0.00 C ATOM 0 H VAL A 87 4.701 2.372 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 87 4.445 0.347 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 87 5.218 -1.375 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.588 -1.142 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.493 -0.873 -8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.261 0.513 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.900 -0.611 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.529 1.077 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.284 0.055 -4.792 1.00 0.00 H new ATOM 1129 N THR A 88 2.357 -0.457 -7.342 1.00 0.00 N ATOM 1130 CA THR A 88 1.097 -0.860 -6.739 1.00 0.00 C ATOM 1131 C THR A 88 1.031 -2.379 -6.615 1.00 0.00 C ATOM 1132 O THR A 88 1.321 -3.093 -7.572 1.00 0.00 O ATOM 1133 CB THR A 88 -0.101 -0.359 -7.572 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.051 1.071 -7.687 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.425 -0.774 -6.945 1.00 0.00 C ATOM 0 H THR A 88 2.484 -0.777 -8.302 1.00 0.00 H new ATOM 0 HA THR A 88 1.044 -0.413 -5.747 1.00 0.00 H new ATOM 0 HB THR A 88 -0.035 -0.812 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.813 1.383 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.249 -0.405 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.475 -1.861 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.501 -0.353 -5.942 1.00 0.00 H new ATOM 1143 N PHE A 89 0.669 -2.862 -5.433 1.00 0.00 N ATOM 1144 CA PHE A 89 0.545 -4.292 -5.184 1.00 0.00 C ATOM 1145 C PHE A 89 -0.900 -4.636 -4.849 1.00 0.00 C ATOM 1146 O PHE A 89 -1.482 -4.060 -3.930 1.00 0.00 O ATOM 1147 CB PHE A 89 1.451 -4.724 -4.022 1.00 0.00 C ATOM 1148 CG PHE A 89 2.902 -4.376 -4.206 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.751 -5.228 -4.894 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.419 -3.199 -3.686 1.00 0.00 C ATOM 1151 CE1 PHE A 89 5.086 -4.913 -5.062 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.752 -2.880 -3.850 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.587 -3.737 -4.540 1.00 0.00 C ATOM 0 H PHE A 89 0.454 -2.278 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 89 0.851 -4.823 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.092 -4.259 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.362 -5.802 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.365 -6.149 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.771 -2.524 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.737 -5.586 -5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.142 -1.961 -3.439 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.630 -3.488 -4.671 1.00 0.00 H new ATOM 1163 N THR A 90 -1.487 -5.549 -5.606 1.00 0.00 N ATOM 1164 CA THR A 90 -2.837 -6.009 -5.322 1.00 0.00 C ATOM 1165 C THR A 90 -2.786 -7.343 -4.584 1.00 0.00 C ATOM 1166 O THR A 90 -2.242 -8.320 -5.094 1.00 0.00 O ATOM 1167 CB THR A 90 -3.657 -6.164 -6.612 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.377 -5.063 -7.491 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.147 -6.204 -6.308 1.00 0.00 C ATOM 0 H THR A 90 -1.052 -5.985 -6.419 1.00 0.00 H new ATOM 0 HA THR A 90 -3.323 -5.261 -4.696 1.00 0.00 H new ATOM 0 HB THR A 90 -3.377 -7.103 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.898 -5.162 -8.315 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.705 -6.314 -7.238 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.362 -7.048 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.443 -5.278 -5.815 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.338 -7.360 -3.379 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.276 -8.511 -2.493 1.00 0.00 C ATOM 1179 C ILE A 91 -4.586 -8.619 -1.725 1.00 0.00 C ATOM 1180 O ILE A 91 -5.280 -7.626 -1.534 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.121 -8.334 -1.477 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.780 -8.195 -2.191 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.077 -9.497 -0.508 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.308 -7.591 -1.330 1.00 0.00 C ATOM 0 H ILE A 91 -3.846 -6.567 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.107 -9.410 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.309 -7.418 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.457 -9.178 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.914 -7.577 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.258 -9.352 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.019 -9.553 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.922 -10.424 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.232 -7.524 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.007 -6.594 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.471 -8.220 -0.455 1.00 0.00 H new ATOM 1196 N SER A 92 -4.927 -9.815 -1.298 1.00 0.00 N ATOM 1197 CA SER A 92 -6.100 -10.006 -0.473 1.00 0.00 C ATOM 1198 C SER A 92 -5.744 -9.866 1.001 1.00 0.00 C ATOM 1199 O SER A 92 -4.649 -10.255 1.410 1.00 0.00 O ATOM 1200 CB SER A 92 -6.719 -11.371 -0.736 1.00 0.00 C ATOM 1201 OG SER A 92 -7.034 -11.524 -2.109 1.00 0.00 O ATOM 0 H SER A 92 -4.410 -10.669 -1.508 1.00 0.00 H new ATOM 0 HA SER A 92 -6.829 -9.237 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.027 -12.155 -0.427 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.621 -11.488 -0.136 1.00 0.00 H new ATOM 0 HG SER A 92 -7.787 -10.940 -2.339 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.661 -9.300 1.774 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.461 -9.037 3.204 1.00 0.00 C ATOM 1209 C ASP A 93 -5.780 -10.205 3.909 1.00 0.00 C ATOM 1210 O ASP A 93 -4.748 -10.044 4.566 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.823 -8.763 3.846 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.743 -8.535 5.338 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.389 -7.417 5.753 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.059 -9.468 6.103 1.00 0.00 O ATOM 0 H ASP A 93 -7.575 -9.006 1.429 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.806 -8.172 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.270 -7.888 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.486 -9.605 3.649 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.353 -11.382 3.718 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.889 -12.603 4.366 1.00 0.00 C ATOM 1221 C GLU A 94 -4.431 -12.920 4.024 1.00 0.00 C ATOM 1222 O GLU A 94 -3.652 -13.298 4.897 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.779 -13.777 3.950 1.00 0.00 C ATOM 1224 CG GLU A 94 -7.997 -13.368 3.133 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.902 -14.535 2.804 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.454 -15.459 2.089 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.066 -14.535 3.257 1.00 0.00 O ATOM 0 H GLU A 94 -7.157 -11.521 3.106 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.950 -12.446 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.185 -14.483 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.113 -14.302 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.564 -12.619 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.666 -12.898 2.207 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.060 -12.753 2.760 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.737 -13.166 2.289 1.00 0.00 C ATOM 1236 C ASP A 95 -1.674 -12.139 2.641 1.00 0.00 C ATOM 1237 O ASP A 95 -0.485 -12.461 2.699 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.738 -13.384 0.774 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.807 -14.349 0.318 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.531 -15.565 0.253 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.930 -13.896 0.015 1.00 0.00 O ATOM 0 H ASP A 95 -4.653 -12.336 2.042 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.501 -14.104 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.884 -12.426 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.762 -13.759 0.466 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.103 -10.906 2.879 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.181 -9.809 3.153 1.00 0.00 C ATOM 1248 C VAL A 96 -0.317 -10.110 4.375 1.00 0.00 C ATOM 1249 O VAL A 96 0.856 -9.745 4.424 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.941 -8.472 3.367 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -1.850 -7.997 4.812 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.433 -7.394 2.424 1.00 0.00 C ATOM 0 H VAL A 96 -3.087 -10.639 2.888 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.535 -9.707 2.281 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.990 -8.662 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.394 -7.059 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.286 -8.748 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.805 -7.844 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.984 -6.470 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.372 -7.223 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.578 -7.715 1.393 1.00 0.00 H new ATOM 1262 N VAL A 97 -0.900 -10.806 5.340 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.259 -11.009 6.627 1.00 0.00 C ATOM 1264 C VAL A 97 0.963 -11.904 6.498 1.00 0.00 C ATOM 1265 O VAL A 97 1.937 -11.752 7.233 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.248 -11.592 7.658 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.507 -10.748 7.683 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.588 -13.046 7.355 1.00 0.00 C ATOM 0 H VAL A 97 -1.819 -11.240 5.254 1.00 0.00 H new ATOM 0 HA VAL A 97 0.070 -10.033 6.985 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.772 -11.569 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.206 -11.159 8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.254 -9.725 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.968 -10.752 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.287 -13.420 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.043 -13.115 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.678 -13.645 7.378 1.00 0.00 H new ATOM 1278 N ASP A 98 0.925 -12.813 5.538 1.00 0.00 N ATOM 1279 CA ASP A 98 2.051 -13.683 5.297 1.00 0.00 C ATOM 1280 C ASP A 98 3.078 -12.940 4.466 1.00 0.00 C ATOM 1281 O ASP A 98 4.276 -13.122 4.631 1.00 0.00 O ATOM 1282 CB ASP A 98 1.627 -14.959 4.568 1.00 0.00 C ATOM 1283 CG ASP A 98 0.517 -15.713 5.269 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.773 -16.306 6.338 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.616 -15.732 4.743 1.00 0.00 O ATOM 0 H ASP A 98 0.129 -12.963 4.919 1.00 0.00 H new ATOM 0 HA ASP A 98 2.476 -13.973 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.301 -14.701 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.492 -15.614 4.465 1.00 0.00 H new ATOM 1290 N LEU A 99 2.594 -12.076 3.590 1.00 0.00 N ATOM 1291 CA LEU A 99 3.467 -11.325 2.696 1.00 0.00 C ATOM 1292 C LEU A 99 4.278 -10.294 3.465 1.00 0.00 C ATOM 1293 O LEU A 99 5.496 -10.211 3.309 1.00 0.00 O ATOM 1294 CB LEU A 99 2.644 -10.646 1.601 1.00 0.00 C ATOM 1295 CG LEU A 99 2.089 -11.596 0.540 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.060 -10.894 -0.321 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.214 -12.140 -0.324 1.00 0.00 C ATOM 0 H LEU A 99 1.600 -11.875 3.477 1.00 0.00 H new ATOM 0 HA LEU A 99 4.163 -12.024 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.813 -10.116 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.265 -9.897 1.110 1.00 0.00 H new ATOM 0 HG LEU A 99 1.603 -12.429 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.678 -11.588 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.238 -10.546 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.523 -10.042 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.803 -12.815 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.724 -11.314 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.923 -12.682 0.301 1.00 0.00 H new ATOM 1309 N ILE A 100 3.600 -9.536 4.314 1.00 0.00 N ATOM 1310 CA ILE A 100 4.242 -8.480 5.086 1.00 0.00 C ATOM 1311 C ILE A 100 5.162 -9.066 6.161 1.00 0.00 C ATOM 1312 O ILE A 100 6.135 -8.434 6.577 1.00 0.00 O ATOM 1313 CB ILE A 100 3.185 -7.557 5.740 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.232 -7.011 4.666 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.850 -6.421 6.511 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.246 -5.982 5.176 1.00 0.00 C ATOM 0 H ILE A 100 2.599 -9.633 4.487 1.00 0.00 H new ATOM 0 HA ILE A 100 4.847 -7.889 4.398 1.00 0.00 H new ATOM 0 HB ILE A 100 2.607 -8.142 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.822 -6.566 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.679 -7.843 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.084 -5.789 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.484 -6.835 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.458 -5.826 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.611 -5.648 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.627 -6.426 5.956 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.789 -5.129 5.585 1.00 0.00 H new ATOM 1328 N SER A 101 4.862 -10.283 6.595 1.00 0.00 N ATOM 1329 CA SER A 101 5.644 -10.930 7.638 1.00 0.00 C ATOM 1330 C SER A 101 6.826 -11.707 7.053 1.00 0.00 C ATOM 1331 O SER A 101 7.685 -12.186 7.791 1.00 0.00 O ATOM 1332 CB SER A 101 4.752 -11.865 8.459 1.00 0.00 C ATOM 1333 OG SER A 101 5.454 -12.417 9.562 1.00 0.00 O ATOM 0 H SER A 101 4.084 -10.840 6.241 1.00 0.00 H new ATOM 0 HA SER A 101 6.046 -10.152 8.288 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.881 -11.317 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.382 -12.669 7.822 1.00 0.00 H new ATOM 0 HG SER A 101 6.417 -12.398 9.380 1.00 0.00 H new ATOM 1339 N GLY A 102 6.870 -11.834 5.729 1.00 0.00 N ATOM 1340 CA GLY A 102 7.954 -12.564 5.092 1.00 0.00 C ATOM 1341 C GLY A 102 7.706 -14.061 5.070 1.00 0.00 C ATOM 1342 O GLY A 102 8.631 -14.855 4.906 1.00 0.00 O ATOM 0 H GLY A 102 6.178 -11.446 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.081 -12.204 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.886 -12.360 5.620 1.00 0.00 H new ATOM 1346 N LYS A 103 6.451 -14.441 5.233 1.00 0.00 N ATOM 1347 CA LYS A 103 6.062 -15.844 5.272 1.00 0.00 C ATOM 1348 C LYS A 103 5.632 -16.327 3.899 1.00 0.00 C ATOM 1349 O LYS A 103 5.971 -17.435 3.479 1.00 0.00 O ATOM 1350 CB LYS A 103 4.914 -16.029 6.259 1.00 0.00 C ATOM 1351 CG LYS A 103 5.345 -15.916 7.712 1.00 0.00 C ATOM 1352 CD LYS A 103 4.164 -16.043 8.658 1.00 0.00 C ATOM 1353 CE LYS A 103 4.598 -15.927 10.111 1.00 0.00 C ATOM 1354 NZ LYS A 103 3.459 -16.118 11.045 1.00 0.00 N ATOM 0 H LYS A 103 5.673 -13.790 5.342 1.00 0.00 H new ATOM 0 HA LYS A 103 6.924 -16.431 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.146 -15.283 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.459 -17.006 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.076 -16.692 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.838 -14.957 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.431 -15.268 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.671 -17.002 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.368 -16.670 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.046 -14.947 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.796 -16.032 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.735 -15.394 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.048 -17.062 10.902 1.00 0.00 H new ATOM 1368 N LEU A 104 4.881 -15.493 3.206 1.00 0.00 N ATOM 1369 CA LEU A 104 4.420 -15.819 1.876 1.00 0.00 C ATOM 1370 C LEU A 104 5.271 -15.112 0.834 1.00 0.00 C ATOM 1371 O LEU A 104 5.502 -13.904 0.913 1.00 0.00 O ATOM 1372 CB LEU A 104 2.942 -15.444 1.739 1.00 0.00 C ATOM 1373 CG LEU A 104 2.327 -15.584 0.343 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.509 -16.993 -0.193 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.849 -15.219 0.376 1.00 0.00 C ATOM 0 H LEU A 104 4.577 -14.581 3.547 1.00 0.00 H new ATOM 0 HA LEU A 104 4.519 -16.892 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.368 -16.063 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.821 -14.410 2.063 1.00 0.00 H new ATOM 0 HG LEU A 104 2.845 -14.896 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.063 -17.065 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.572 -17.224 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.022 -17.702 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.426 -15.323 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.325 -15.884 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.736 -14.188 0.712 1.00 0.00 H new ATOM 1387 N ASN A 105 5.758 -15.886 -0.120 1.00 0.00 N ATOM 1388 CA ASN A 105 6.585 -15.370 -1.200 1.00 0.00 C ATOM 1389 C ASN A 105 5.745 -14.509 -2.136 1.00 0.00 C ATOM 1390 O ASN A 105 4.755 -14.985 -2.696 1.00 0.00 O ATOM 1391 CB ASN A 105 7.172 -16.535 -1.995 1.00 0.00 C ATOM 1392 CG ASN A 105 8.378 -16.154 -2.829 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.551 -16.661 -3.935 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.237 -15.299 -2.299 1.00 0.00 N ATOM 0 H ASN A 105 5.592 -16.891 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 105 7.387 -14.768 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.455 -17.329 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.402 -16.942 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.079 -15.039 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.057 -14.900 -1.378 1.00 0.00 H new ATOM 1401 N PRO A 106 6.122 -13.234 -2.333 1.00 0.00 N ATOM 1402 CA PRO A 106 5.409 -12.353 -3.249 1.00 0.00 C ATOM 1403 C PRO A 106 5.604 -12.802 -4.686 1.00 0.00 C ATOM 1404 O PRO A 106 4.779 -12.530 -5.551 1.00 0.00 O ATOM 1405 CB PRO A 106 6.011 -10.964 -3.019 1.00 0.00 C ATOM 1406 CG PRO A 106 6.976 -11.102 -1.883 1.00 0.00 C ATOM 1407 CD PRO A 106 7.264 -12.567 -1.698 1.00 0.00 C ATOM 0 HA PRO A 106 4.334 -12.360 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.516 -10.607 -3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.233 -10.238 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.895 -10.556 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.556 -10.677 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.205 -12.852 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.343 -12.828 -0.643 1.00 0.00 H new ATOM 1415 N GLN A 107 6.703 -13.510 -4.920 1.00 0.00 N ATOM 1416 CA GLN A 107 6.968 -14.131 -6.206 1.00 0.00 C ATOM 1417 C GLN A 107 5.937 -15.208 -6.498 1.00 0.00 C ATOM 1418 O GLN A 107 5.217 -15.141 -7.493 1.00 0.00 O ATOM 1419 CB GLN A 107 8.352 -14.763 -6.205 1.00 0.00 C ATOM 1420 CG GLN A 107 9.503 -13.800 -6.466 1.00 0.00 C ATOM 1421 CD GLN A 107 9.400 -12.506 -5.684 1.00 0.00 C ATOM 1422 OE1 GLN A 107 9.839 -12.421 -4.537 1.00 0.00 O ATOM 1423 NE2 GLN A 107 8.840 -11.483 -6.308 1.00 0.00 N ATOM 0 H GLN A 107 7.432 -13.668 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 107 6.914 -13.360 -6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.514 -15.245 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.377 -15.547 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.442 -14.293 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.539 -13.570 -7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.489 -11.596 -7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.759 -10.581 -5.838 1.00 0.00 H new ATOM 1432 N LYS A 108 5.864 -16.202 -5.614 1.00 0.00 N ATOM 1433 CA LYS A 108 4.928 -17.299 -5.788 1.00 0.00 C ATOM 1434 C LYS A 108 3.508 -16.765 -5.810 1.00 0.00 C ATOM 1435 O LYS A 108 2.671 -17.234 -6.572 1.00 0.00 O ATOM 1436 CB LYS A 108 5.101 -18.361 -4.684 1.00 0.00 C ATOM 1437 CG LYS A 108 4.368 -18.077 -3.371 1.00 0.00 C ATOM 1438 CD LYS A 108 3.228 -19.052 -3.116 1.00 0.00 C ATOM 1439 CE LYS A 108 1.927 -18.578 -3.735 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.289 -17.491 -2.959 1.00 0.00 N ATOM 0 H LYS A 108 6.441 -16.266 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 108 5.136 -17.785 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.757 -19.320 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.165 -18.466 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.077 -18.128 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.975 -17.061 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.488 -20.029 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.093 -19.180 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.118 -18.231 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.237 -19.419 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.491 -17.101 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.943 -17.868 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.985 -16.739 -2.778 1.00 0.00 H new ATOM 1454 N ALA A 109 3.242 -15.765 -4.978 1.00 0.00 N ATOM 1455 CA ALA A 109 1.910 -15.185 -4.917 1.00 0.00 C ATOM 1456 C ALA A 109 1.597 -14.424 -6.204 1.00 0.00 C ATOM 1457 O ALA A 109 0.454 -14.406 -6.655 1.00 0.00 O ATOM 1458 CB ALA A 109 1.762 -14.277 -3.709 1.00 0.00 C ATOM 0 H ALA A 109 3.922 -15.345 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 109 1.193 -16.000 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.756 -13.858 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.933 -14.852 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.491 -13.469 -3.770 1.00 0.00 H new ATOM 1464 N PHE A 110 2.616 -13.795 -6.783 1.00 0.00 N ATOM 1465 CA PHE A 110 2.475 -13.123 -8.071 1.00 0.00 C ATOM 1466 C PHE A 110 2.107 -14.151 -9.132 1.00 0.00 C ATOM 1467 O PHE A 110 1.119 -14.003 -9.853 1.00 0.00 O ATOM 1468 CB PHE A 110 3.791 -12.420 -8.462 1.00 0.00 C ATOM 1469 CG PHE A 110 3.731 -11.630 -9.749 1.00 0.00 C ATOM 1470 CD1 PHE A 110 3.738 -12.270 -10.978 1.00 0.00 C ATOM 1471 CD2 PHE A 110 3.681 -10.245 -9.726 1.00 0.00 C ATOM 1472 CE1 PHE A 110 3.690 -11.547 -12.154 1.00 0.00 C ATOM 1473 CE2 PHE A 110 3.631 -9.517 -10.899 1.00 0.00 C ATOM 1474 CZ PHE A 110 3.636 -10.170 -12.113 1.00 0.00 C ATOM 0 H PHE A 110 3.551 -13.737 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 110 1.691 -12.370 -7.996 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.082 -11.749 -7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.575 -13.172 -8.550 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.782 -13.348 -11.017 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.681 -9.728 -8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.695 -12.060 -13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 110 3.588 -8.438 -10.865 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.598 -9.603 -13.032 1.00 0.00 H new ATOM 1484 N PHE A 111 2.920 -15.200 -9.196 1.00 0.00 N ATOM 1485 CA PHE A 111 2.744 -16.283 -10.150 1.00 0.00 C ATOM 1486 C PHE A 111 1.361 -16.917 -10.013 1.00 0.00 C ATOM 1487 O PHE A 111 0.695 -17.203 -11.010 1.00 0.00 O ATOM 1488 CB PHE A 111 3.834 -17.336 -9.924 1.00 0.00 C ATOM 1489 CG PHE A 111 3.771 -18.496 -10.873 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.359 -18.416 -12.124 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.121 -19.666 -10.515 1.00 0.00 C ATOM 1492 CE1 PHE A 111 4.302 -19.483 -12.998 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.060 -20.733 -11.385 1.00 0.00 C ATOM 1494 CZ PHE A 111 3.649 -20.642 -12.627 1.00 0.00 C ATOM 0 H PHE A 111 3.725 -15.321 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 111 2.826 -15.879 -11.159 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.810 -16.859 -10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.756 -17.711 -8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.867 -17.510 -12.419 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.657 -19.743 -9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.767 -19.412 -13.970 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.551 -21.640 -11.093 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.600 -21.477 -13.310 1.00 0.00 H new ATOM 1504 N GLN A 112 0.934 -17.114 -8.774 1.00 0.00 N ATOM 1505 CA GLN A 112 -0.345 -17.748 -8.483 1.00 0.00 C ATOM 1506 C GLN A 112 -1.523 -16.807 -8.745 1.00 0.00 C ATOM 1507 O GLN A 112 -2.676 -17.190 -8.570 1.00 0.00 O ATOM 1508 CB GLN A 112 -0.356 -18.235 -7.034 1.00 0.00 C ATOM 1509 CG GLN A 112 0.500 -19.473 -6.803 1.00 0.00 C ATOM 1510 CD GLN A 112 -0.213 -20.777 -7.125 1.00 0.00 C ATOM 1511 OE1 GLN A 112 0.096 -21.816 -6.543 1.00 0.00 O ATOM 1512 NE2 GLN A 112 -1.182 -20.738 -8.029 1.00 0.00 N ATOM 0 H GLN A 112 1.461 -16.840 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.462 -18.599 -9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.002 -17.433 -6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.383 -18.453 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.400 -19.401 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.822 -19.492 -5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.412 -19.859 -8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.697 -21.587 -8.261 1.00 0.00 H new ATOM 1521 N GLY A 113 -1.231 -15.579 -9.151 1.00 0.00 N ATOM 1522 CA GLY A 113 -2.280 -14.660 -9.551 1.00 0.00 C ATOM 1523 C GLY A 113 -2.704 -13.716 -8.445 1.00 0.00 C ATOM 1524 O GLY A 113 -3.402 -12.737 -8.701 1.00 0.00 O ATOM 0 H GLY A 113 -0.285 -15.202 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.936 -14.077 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.147 -15.231 -9.884 1.00 0.00 H new ATOM 1528 N LYS A 114 -2.284 -14.006 -7.220 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.636 -13.185 -6.070 1.00 0.00 C ATOM 1530 C LYS A 114 -2.094 -11.774 -6.199 1.00 0.00 C ATOM 1531 O LYS A 114 -2.852 -10.802 -6.234 1.00 0.00 O ATOM 1532 CB LYS A 114 -2.091 -13.821 -4.801 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.796 -15.106 -4.438 1.00 0.00 C ATOM 1534 CD LYS A 114 -4.291 -14.905 -4.246 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.605 -13.887 -3.157 1.00 0.00 C ATOM 1536 NZ LYS A 114 -6.054 -13.889 -2.833 1.00 0.00 N ATOM 0 H LYS A 114 -1.696 -14.809 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.723 -13.126 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.027 -14.020 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.187 -13.115 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.628 -15.845 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.364 -15.509 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.734 -14.576 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.753 -15.859 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.028 -14.116 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.303 -12.892 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.400 -12.910 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.574 -14.405 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.204 -14.354 -1.915 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.781 -11.677 -6.276 1.00 0.00 N ATOM 1551 CA ILE A 115 -0.104 -10.397 -6.301 1.00 0.00 C ATOM 1552 C ILE A 115 -0.131 -9.789 -7.702 1.00 0.00 C ATOM 1553 O ILE A 115 0.299 -10.408 -8.679 1.00 0.00 O ATOM 1554 CB ILE A 115 1.347 -10.543 -5.768 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.463 -9.977 -4.365 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.347 -9.832 -6.645 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.570 -10.602 -3.563 1.00 0.00 C ATOM 0 H ILE A 115 -0.156 -12.482 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.636 -9.711 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 115 1.569 -11.610 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.631 -8.902 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.518 -10.123 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.348 -9.961 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.311 -10.250 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.105 -8.770 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.599 -10.153 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.393 -11.674 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.523 -10.434 -4.065 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.696 -8.596 -7.793 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.660 -7.823 -9.023 1.00 0.00 C ATOM 1571 C LYS A 116 0.141 -6.553 -8.795 1.00 0.00 C ATOM 1572 O LYS A 116 -0.362 -5.593 -8.211 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.068 -7.450 -9.497 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.989 -8.630 -9.764 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.411 -9.571 -10.808 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.496 -10.385 -11.493 1.00 0.00 C ATOM 1577 NZ LYS A 116 -4.409 -11.045 -10.524 1.00 0.00 N ATOM 0 H LYS A 116 -1.188 -8.140 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.193 -8.437 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.531 -6.810 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.984 -6.860 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.158 -9.176 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.959 -8.265 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.863 -8.995 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.695 -10.244 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.075 -9.734 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.033 -11.143 -12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.998 -11.743 -11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.849 -11.525 -9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.020 -10.330 -10.080 1.00 0.00 H new ATOM 1591 N ILE A 117 1.394 -6.564 -9.216 1.00 0.00 N ATOM 1592 CA ILE A 117 2.244 -5.398 -9.102 1.00 0.00 C ATOM 1593 C ILE A 117 2.644 -4.901 -10.489 1.00 0.00 C ATOM 1594 O ILE A 117 3.000 -5.686 -11.367 1.00 0.00 O ATOM 1595 CB ILE A 117 3.483 -5.690 -8.210 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.712 -4.895 -8.641 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.803 -7.172 -8.174 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.675 -3.435 -8.243 1.00 0.00 C ATOM 0 H ILE A 117 1.845 -7.374 -9.642 1.00 0.00 H new ATOM 0 HA ILE A 117 1.683 -4.604 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 117 3.218 -5.366 -7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.600 -5.356 -8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.814 -4.963 -9.724 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.675 -7.341 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.951 -7.719 -7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.014 -7.523 -9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.584 -2.941 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.808 -2.956 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.606 -3.355 -7.158 1.00 0.00 H new ATOM 1610 N GLN A 118 2.565 -3.591 -10.670 1.00 0.00 N ATOM 1611 CA GLN A 118 2.805 -2.960 -11.955 1.00 0.00 C ATOM 1612 C GLN A 118 3.500 -1.629 -11.717 1.00 0.00 C ATOM 1613 O GLN A 118 2.872 -0.570 -11.702 1.00 0.00 O ATOM 1614 CB GLN A 118 1.479 -2.757 -12.698 1.00 0.00 C ATOM 1615 CG GLN A 118 1.633 -2.136 -14.075 1.00 0.00 C ATOM 1616 CD GLN A 118 0.301 -1.908 -14.760 1.00 0.00 C ATOM 1617 OE1 GLN A 118 -0.319 -0.855 -14.604 1.00 0.00 O ATOM 1618 NE2 GLN A 118 -0.150 -2.888 -15.524 1.00 0.00 N ATOM 0 H GLN A 118 2.331 -2.935 -9.925 1.00 0.00 H new ATOM 0 HA GLN A 118 3.440 -3.595 -12.573 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.979 -3.720 -12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.829 -2.123 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.159 -1.186 -13.985 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.251 -2.785 -14.696 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.393 -3.745 -15.628 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.041 -2.787 -16.010 1.00 0.00 H new ATOM 1627 N GLY A 119 4.795 -1.698 -11.497 1.00 0.00 N ATOM 1628 CA GLY A 119 5.529 -0.544 -11.040 1.00 0.00 C ATOM 1629 C GLY A 119 7.009 -0.670 -11.293 1.00 0.00 C ATOM 1630 O GLY A 119 7.471 -1.711 -11.767 1.00 0.00 O ATOM 0 H GLY A 119 5.357 -2.539 -11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.151 0.346 -11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.356 -0.405 -9.973 1.00 0.00 H new ATOM 1634 N ASN A 120 7.735 0.407 -11.014 1.00 0.00 N ATOM 1635 CA ASN A 120 9.188 0.443 -11.178 1.00 0.00 C ATOM 1636 C ASN A 120 9.826 -0.784 -10.524 1.00 0.00 C ATOM 1637 O ASN A 120 9.839 -0.918 -9.297 1.00 0.00 O ATOM 1638 CB ASN A 120 9.748 1.726 -10.546 1.00 0.00 C ATOM 1639 CG ASN A 120 11.233 1.932 -10.807 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.996 0.981 -10.983 1.00 0.00 O ATOM 1641 ND2 ASN A 120 11.656 3.184 -10.829 1.00 0.00 N ATOM 0 H ASN A 120 7.336 1.280 -10.668 1.00 0.00 H new ATOM 0 HA ASN A 120 9.425 0.433 -12.242 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.197 2.583 -10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.577 1.696 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 120 12.642 3.386 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.997 3.948 -10.679 1.00 0.00 H new ATOM 1648 N MET A 121 10.354 -1.669 -11.361 1.00 0.00 N ATOM 1649 CA MET A 121 10.883 -2.948 -10.908 1.00 0.00 C ATOM 1650 C MET A 121 12.099 -2.768 -10.009 1.00 0.00 C ATOM 1651 O MET A 121 12.275 -3.512 -9.051 1.00 0.00 O ATOM 1652 CB MET A 121 11.234 -3.850 -12.102 1.00 0.00 C ATOM 1653 CG MET A 121 12.297 -3.287 -13.039 1.00 0.00 C ATOM 1654 SD MET A 121 11.752 -1.816 -13.934 1.00 0.00 S ATOM 1655 CE MET A 121 13.175 -1.507 -14.977 1.00 0.00 C ATOM 0 H MET A 121 10.427 -1.521 -12.368 1.00 0.00 H new ATOM 0 HA MET A 121 10.101 -3.431 -10.322 1.00 0.00 H new ATOM 0 HB2 MET A 121 11.577 -4.813 -11.723 1.00 0.00 H new ATOM 0 HB3 MET A 121 10.327 -4.038 -12.676 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.189 -3.043 -12.461 1.00 0.00 H new ATOM 0 HG3 MET A 121 12.583 -4.056 -13.757 1.00 0.00 H new ATOM 0 HE1 MET A 121 12.991 -0.626 -15.592 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.053 -1.337 -14.354 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.348 -2.369 -15.621 1.00 0.00 H new ATOM 1665 N GLY A 122 12.915 -1.760 -10.296 1.00 0.00 N ATOM 1666 CA GLY A 122 14.117 -1.538 -9.515 1.00 0.00 C ATOM 1667 C GLY A 122 13.783 -1.052 -8.125 1.00 0.00 C ATOM 1668 O GLY A 122 14.469 -1.369 -7.154 1.00 0.00 O ATOM 0 H GLY A 122 12.766 -1.094 -11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.689 -2.464 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.750 -0.806 -10.017 1.00 0.00 H new ATOM 1672 N LEU A 123 12.703 -0.299 -8.039 1.00 0.00 N ATOM 1673 CA LEU A 123 12.222 0.225 -6.777 1.00 0.00 C ATOM 1674 C LEU A 123 11.644 -0.916 -5.941 1.00 0.00 C ATOM 1675 O LEU A 123 11.944 -1.051 -4.756 1.00 0.00 O ATOM 1676 CB LEU A 123 11.171 1.303 -7.066 1.00 0.00 C ATOM 1677 CG LEU A 123 10.841 2.261 -5.915 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.545 3.645 -6.465 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.649 1.753 -5.121 1.00 0.00 C ATOM 0 H LEU A 123 12.135 -0.034 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 123 13.035 0.675 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.513 1.895 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.250 0.808 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 123 11.703 2.315 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.311 4.321 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.417 4.017 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.694 3.592 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.431 2.446 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.781 1.677 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.879 0.771 -4.708 1.00 0.00 H new ATOM 1691 N ALA A 124 10.858 -1.769 -6.592 1.00 0.00 N ATOM 1692 CA ALA A 124 10.239 -2.913 -5.930 1.00 0.00 C ATOM 1693 C ALA A 124 11.277 -3.991 -5.600 1.00 0.00 C ATOM 1694 O ALA A 124 11.014 -4.894 -4.809 1.00 0.00 O ATOM 1695 CB ALA A 124 9.137 -3.494 -6.803 1.00 0.00 C ATOM 0 H ALA A 124 10.634 -1.688 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 124 9.804 -2.565 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.684 -4.347 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.377 -2.734 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.559 -3.819 -7.754 1.00 0.00 H new ATOM 1701 N MET A 125 12.454 -3.901 -6.213 1.00 0.00 N ATOM 1702 CA MET A 125 13.548 -4.820 -5.899 1.00 0.00 C ATOM 1703 C MET A 125 14.072 -4.574 -4.493 1.00 0.00 C ATOM 1704 O MET A 125 14.642 -5.468 -3.869 1.00 0.00 O ATOM 1705 CB MET A 125 14.693 -4.692 -6.908 1.00 0.00 C ATOM 1706 CG MET A 125 14.435 -5.414 -8.221 1.00 0.00 C ATOM 1707 SD MET A 125 15.759 -5.171 -9.424 1.00 0.00 S ATOM 1708 CE MET A 125 17.158 -5.856 -8.538 1.00 0.00 C ATOM 0 H MET A 125 12.676 -3.206 -6.926 1.00 0.00 H new ATOM 0 HA MET A 125 13.149 -5.833 -5.958 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.868 -3.636 -7.113 1.00 0.00 H new ATOM 0 HB3 MET A 125 15.606 -5.086 -6.460 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.317 -6.480 -8.027 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.495 -5.062 -8.646 1.00 0.00 H new ATOM 0 HE1 MET A 125 17.812 -6.377 -9.237 1.00 0.00 H new ATOM 0 HE2 MET A 125 17.712 -5.051 -8.055 1.00 0.00 H new ATOM 0 HE3 MET A 125 16.803 -6.557 -7.782 1.00 0.00 H new ATOM 1718 N LYS A 126 13.882 -3.365 -3.978 1.00 0.00 N ATOM 1719 CA LYS A 126 14.261 -3.101 -2.598 1.00 0.00 C ATOM 1720 C LYS A 126 13.122 -3.513 -1.678 1.00 0.00 C ATOM 1721 O LYS A 126 13.357 -3.973 -0.566 1.00 0.00 O ATOM 1722 CB LYS A 126 14.644 -1.634 -2.375 1.00 0.00 C ATOM 1723 CG LYS A 126 15.296 -1.372 -1.022 1.00 0.00 C ATOM 1724 CD LYS A 126 16.579 -2.170 -0.846 1.00 0.00 C ATOM 1725 CE LYS A 126 17.208 -1.937 0.520 1.00 0.00 C ATOM 1726 NZ LYS A 126 18.423 -2.774 0.724 1.00 0.00 N ATOM 0 H LYS A 126 13.479 -2.573 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 126 15.148 -3.691 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 126 15.327 -1.322 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.750 -1.016 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.514 -0.308 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.597 -1.629 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.367 -3.232 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.289 -1.893 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.471 -0.884 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.478 -2.161 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.083 -2.279 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 18.151 -3.683 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 18.885 -2.945 -0.192 1.00 0.00 H new ATOM 1740 N LEU A 127 11.889 -3.360 -2.163 1.00 0.00 N ATOM 1741 CA LEU A 127 10.717 -3.941 -1.505 1.00 0.00 C ATOM 1742 C LEU A 127 10.959 -5.430 -1.305 1.00 0.00 C ATOM 1743 O LEU A 127 10.635 -6.010 -0.272 1.00 0.00 O ATOM 1744 CB LEU A 127 9.470 -3.752 -2.383 1.00 0.00 C ATOM 1745 CG LEU A 127 8.826 -2.361 -2.398 1.00 0.00 C ATOM 1746 CD1 LEU A 127 7.940 -2.175 -1.187 1.00 0.00 C ATOM 1747 CD2 LEU A 127 9.864 -1.258 -2.452 1.00 0.00 C ATOM 0 H LEU A 127 11.675 -2.837 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 127 10.558 -3.447 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 127 9.736 -4.012 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 127 8.716 -4.469 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 127 8.221 -2.295 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.491 -1.182 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.153 -2.929 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.536 -2.279 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.365 -0.289 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 127 10.511 -1.325 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.463 -1.366 -3.356 1.00 0.00 H new ATOM 1759 N THR A 128 11.540 -6.018 -2.334 1.00 0.00 N ATOM 1760 CA THR A 128 11.946 -7.406 -2.338 1.00 0.00 C ATOM 1761 C THR A 128 13.003 -7.680 -1.265 1.00 0.00 C ATOM 1762 O THR A 128 12.880 -8.623 -0.484 1.00 0.00 O ATOM 1763 CB THR A 128 12.499 -7.752 -3.726 1.00 0.00 C ATOM 1764 OG1 THR A 128 11.463 -7.612 -4.707 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.083 -9.148 -3.782 1.00 0.00 C ATOM 0 H THR A 128 11.746 -5.532 -3.207 1.00 0.00 H new ATOM 0 HA THR A 128 11.081 -8.029 -2.112 1.00 0.00 H new ATOM 0 HB THR A 128 13.310 -7.056 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.190 -6.672 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 128 13.461 -9.344 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 128 13.899 -9.230 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.310 -9.876 -3.537 1.00 0.00 H new ATOM 1773 N ASP A 129 14.026 -6.830 -1.216 1.00 0.00 N ATOM 1774 CA ASP A 129 15.135 -6.999 -0.277 1.00 0.00 C ATOM 1775 C ASP A 129 14.681 -6.796 1.161 1.00 0.00 C ATOM 1776 O ASP A 129 15.278 -7.328 2.093 1.00 0.00 O ATOM 1777 CB ASP A 129 16.246 -6.012 -0.600 1.00 0.00 C ATOM 1778 CG ASP A 129 17.496 -6.254 0.224 1.00 0.00 C ATOM 1779 OD1 ASP A 129 18.136 -7.316 0.054 1.00 0.00 O ATOM 1780 OD2 ASP A 129 17.840 -5.384 1.051 1.00 0.00 O ATOM 0 H ASP A 129 14.111 -6.012 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 129 15.505 -8.019 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.494 -6.083 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 129 15.889 -4.997 -0.423 1.00 0.00 H new ATOM 1785 N LEU A 130 13.621 -6.022 1.329 1.00 0.00 N ATOM 1786 CA LEU A 130 13.021 -5.781 2.646 1.00 0.00 C ATOM 1787 C LEU A 130 12.672 -7.085 3.369 1.00 0.00 C ATOM 1788 O LEU A 130 12.421 -7.088 4.575 1.00 0.00 O ATOM 1789 CB LEU A 130 11.781 -4.912 2.526 1.00 0.00 C ATOM 1790 CG LEU A 130 12.049 -3.466 2.111 1.00 0.00 C ATOM 1791 CD1 LEU A 130 10.911 -2.594 2.567 1.00 0.00 C ATOM 1792 CD2 LEU A 130 13.366 -2.958 2.686 1.00 0.00 C ATOM 0 H LEU A 130 13.148 -5.541 0.564 1.00 0.00 H new ATOM 0 HA LEU A 130 13.770 -5.258 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.106 -5.365 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.262 -4.910 3.484 1.00 0.00 H new ATOM 0 HG LEU A 130 12.126 -3.428 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 130 11.102 -1.562 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.983 -2.937 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.822 -2.650 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.526 -1.927 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.330 -3.004 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.185 -3.579 2.323 1.00 0.00 H new ATOM 1804 N GLN A 131 12.659 -8.191 2.627 1.00 0.00 N ATOM 1805 CA GLN A 131 12.410 -9.509 3.199 1.00 0.00 C ATOM 1806 C GLN A 131 13.412 -9.837 4.308 1.00 0.00 C ATOM 1807 O GLN A 131 13.115 -10.639 5.192 1.00 0.00 O ATOM 1808 CB GLN A 131 12.470 -10.585 2.112 1.00 0.00 C ATOM 1809 CG GLN A 131 13.841 -10.740 1.469 1.00 0.00 C ATOM 1810 CD GLN A 131 13.875 -11.812 0.397 1.00 0.00 C ATOM 1811 OE1 GLN A 131 14.904 -12.448 0.169 1.00 0.00 O ATOM 1812 NE2 GLN A 131 12.754 -12.023 -0.272 1.00 0.00 N ATOM 0 H GLN A 131 12.820 -8.197 1.620 1.00 0.00 H new ATOM 0 HA GLN A 131 11.411 -9.493 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 131 12.173 -11.540 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.742 -10.345 1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.141 -9.788 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.573 -10.982 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 131 11.920 -11.477 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.723 -12.732 -1.004 1.00 0.00 H new ATOM 1821 N ARG A 132 14.596 -9.219 4.260 1.00 0.00 N ATOM 1822 CA ARG A 132 15.599 -9.430 5.303 1.00 0.00 C ATOM 1823 C ARG A 132 15.060 -8.901 6.625 1.00 0.00 C ATOM 1824 O ARG A 132 15.181 -9.541 7.667 1.00 0.00 O ATOM 1825 CB ARG A 132 16.919 -8.712 4.986 1.00 0.00 C ATOM 1826 CG ARG A 132 17.347 -8.744 3.529 1.00 0.00 C ATOM 1827 CD ARG A 132 17.483 -10.152 2.974 1.00 0.00 C ATOM 1828 NE ARG A 132 17.794 -10.126 1.544 1.00 0.00 N ATOM 1829 CZ ARG A 132 17.957 -11.212 0.790 1.00 0.00 C ATOM 1830 NH1 ARG A 132 17.856 -12.422 1.326 1.00 0.00 N ATOM 1831 NH2 ARG A 132 18.229 -11.087 -0.502 1.00 0.00 N ATOM 0 H ARG A 132 14.879 -8.577 3.520 1.00 0.00 H new ATOM 0 HA ARG A 132 15.800 -10.500 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.830 -7.671 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.710 -9.159 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.620 -8.194 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 132 18.301 -8.227 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.269 -10.684 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.556 -10.702 3.138 1.00 0.00 H new ATOM 0 HE ARG A 132 17.892 -9.216 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 132 17.653 -12.524 2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 132 17.982 -13.250 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 132 18.313 -10.160 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 132 18.354 -11.918 -1.080 1.00 0.00 H new ATOM 1845 N GLN A 133 14.449 -7.723 6.557 1.00 0.00 N ATOM 1846 CA GLN A 133 13.861 -7.083 7.727 1.00 0.00 C ATOM 1847 C GLN A 133 12.632 -7.859 8.180 1.00 0.00 C ATOM 1848 O GLN A 133 12.413 -8.059 9.375 1.00 0.00 O ATOM 1849 CB GLN A 133 13.463 -5.631 7.413 1.00 0.00 C ATOM 1850 CG GLN A 133 14.624 -4.650 7.253 1.00 0.00 C ATOM 1851 CD GLN A 133 15.610 -5.039 6.168 1.00 0.00 C ATOM 1852 OE1 GLN A 133 15.407 -4.745 4.989 1.00 0.00 O ATOM 1853 NE2 GLN A 133 16.708 -5.667 6.560 1.00 0.00 N ATOM 0 H GLN A 133 14.348 -7.188 5.694 1.00 0.00 H new ATOM 0 HA GLN A 133 14.605 -7.078 8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 133 12.875 -5.624 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 133 12.813 -5.270 8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 133 14.224 -3.661 7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 133 15.155 -4.572 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 133 16.841 -5.894 7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 133 17.420 -5.924 5.877 1.00 0.00 H new ATOM 1862 N ALA A 134 11.846 -8.313 7.206 1.00 0.00 N ATOM 1863 CA ALA A 134 10.627 -9.071 7.477 1.00 0.00 C ATOM 1864 C ALA A 134 10.932 -10.370 8.217 1.00 0.00 C ATOM 1865 O ALA A 134 10.133 -10.839 9.030 1.00 0.00 O ATOM 1866 CB ALA A 134 9.895 -9.363 6.173 1.00 0.00 C ATOM 0 H ALA A 134 12.034 -8.167 6.214 1.00 0.00 H new ATOM 0 HA ALA A 134 9.987 -8.466 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.987 -9.928 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 134 9.633 -8.424 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.541 -9.945 5.516 1.00 0.00 H new ATOM 1872 N ALA A 135 12.101 -10.939 7.942 1.00 0.00 N ATOM 1873 CA ALA A 135 12.520 -12.180 8.580 1.00 0.00 C ATOM 1874 C ALA A 135 13.159 -11.916 9.939 1.00 0.00 C ATOM 1875 O ALA A 135 13.579 -12.842 10.633 1.00 0.00 O ATOM 1876 CB ALA A 135 13.487 -12.937 7.682 1.00 0.00 C ATOM 0 H ALA A 135 12.776 -10.558 7.279 1.00 0.00 H new ATOM 0 HA ALA A 135 11.631 -12.791 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 135 13.791 -13.862 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.998 -13.171 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.366 -12.321 7.493 1.00 0.00 H new ATOM 1882 N GLY A 136 13.219 -10.645 10.317 1.00 0.00 N ATOM 1883 CA GLY A 136 13.834 -10.272 11.573 1.00 0.00 C ATOM 1884 C GLY A 136 15.339 -10.386 11.518 1.00 0.00 C ATOM 1885 O GLY A 136 15.959 -10.890 12.453 1.00 0.00 O ATOM 0 H GLY A 136 12.851 -9.865 9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 136 13.556 -9.248 11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.450 -10.910 12.369 1.00 0.00 H new ATOM 1889 N ARG A 137 15.913 -9.922 10.405 1.00 0.00 N ATOM 1890 CA ARG A 137 17.358 -9.974 10.169 1.00 0.00 C ATOM 1891 C ARG A 137 17.833 -11.413 10.007 1.00 0.00 C ATOM 1892 O ARG A 137 17.811 -12.203 10.950 1.00 0.00 O ATOM 1893 CB ARG A 137 18.134 -9.278 11.291 1.00 0.00 C ATOM 1894 CG ARG A 137 17.833 -7.795 11.399 1.00 0.00 C ATOM 1895 CD ARG A 137 18.572 -7.158 12.561 1.00 0.00 C ATOM 1896 NE ARG A 137 18.232 -5.744 12.715 1.00 0.00 N ATOM 1897 CZ ARG A 137 18.563 -5.012 13.774 1.00 0.00 C ATOM 1898 NH1 ARG A 137 19.242 -5.557 14.778 1.00 0.00 N ATOM 1899 NH2 ARG A 137 18.212 -3.733 13.833 1.00 0.00 N ATOM 0 H ARG A 137 15.387 -9.499 9.640 1.00 0.00 H new ATOM 0 HA ARG A 137 17.556 -9.438 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 137 17.897 -9.760 12.240 1.00 0.00 H new ATOM 0 HB3 ARG A 137 19.202 -9.413 11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 137 18.115 -7.297 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 137 16.760 -7.649 11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 137 18.331 -7.691 13.481 1.00 0.00 H new ATOM 0 HD3 ARG A 137 19.646 -7.258 12.407 1.00 0.00 H new ATOM 0 HE ARG A 137 17.709 -5.292 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 137 19.511 -6.540 14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 137 19.494 -4.992 15.589 1.00 0.00 H new ATOM 0 HH21 ARG A 137 17.688 -3.312 13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 137 18.466 -3.171 14.646 1.00 0.00 H new ATOM 1913 N ILE A 138 18.263 -11.746 8.803 1.00 0.00 N ATOM 1914 CA ILE A 138 18.719 -13.092 8.506 1.00 0.00 C ATOM 1915 C ILE A 138 20.135 -13.294 9.032 1.00 0.00 C ATOM 1916 O ILE A 138 20.882 -12.329 9.219 1.00 0.00 O ATOM 1917 CB ILE A 138 18.687 -13.377 6.985 1.00 0.00 C ATOM 1918 CG1 ILE A 138 17.296 -13.081 6.424 1.00 0.00 C ATOM 1919 CG2 ILE A 138 19.060 -14.823 6.693 1.00 0.00 C ATOM 1920 CD1 ILE A 138 17.188 -13.265 4.926 1.00 0.00 C ATOM 0 H ILE A 138 18.306 -11.101 8.014 1.00 0.00 H new ATOM 0 HA ILE A 138 18.041 -13.788 9.000 1.00 0.00 H new ATOM 0 HB ILE A 138 19.418 -12.727 6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 138 16.571 -13.732 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 138 17.024 -12.056 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 138 19.030 -14.996 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 138 20.065 -15.022 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 138 18.352 -15.488 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 138 16.172 -13.036 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 138 17.887 -12.595 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 138 17.427 -14.297 4.668 1.00 0.00 H new ATOM 1932 N GLU A 139 20.470 -14.549 9.292 1.00 0.00 N ATOM 1933 CA GLU A 139 21.800 -14.944 9.720 1.00 0.00 C ATOM 1934 C GLU A 139 22.888 -14.237 8.920 1.00 0.00 C ATOM 1935 O GLU A 139 22.971 -14.382 7.704 1.00 0.00 O ATOM 1936 CB GLU A 139 21.938 -16.449 9.543 1.00 0.00 C ATOM 1937 CG GLU A 139 21.146 -17.246 10.561 1.00 0.00 C ATOM 1938 CD GLU A 139 21.543 -16.910 11.980 1.00 0.00 C ATOM 1939 OE1 GLU A 139 22.465 -17.560 12.512 1.00 0.00 O ATOM 1940 OE2 GLU A 139 20.936 -15.993 12.569 1.00 0.00 O ATOM 0 H GLU A 139 19.818 -15.329 9.210 1.00 0.00 H new ATOM 0 HA GLU A 139 21.925 -14.661 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.608 -16.722 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.991 -16.722 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.082 -17.050 10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 139 21.298 -18.311 10.385 1.00 0.00 H new ATOM 1947 N SER A 140 23.708 -13.467 9.614 1.00 0.00 N ATOM 1948 CA SER A 140 24.814 -12.769 8.983 1.00 0.00 C ATOM 1949 C SER A 140 26.109 -13.030 9.748 1.00 0.00 C ATOM 1950 O SER A 140 27.201 -12.713 9.278 1.00 0.00 O ATOM 1951 CB SER A 140 24.515 -11.270 8.927 1.00 0.00 C ATOM 1952 OG SER A 140 23.229 -11.031 8.369 1.00 0.00 O ATOM 0 H SER A 140 23.628 -13.309 10.619 1.00 0.00 H new ATOM 0 HA SER A 140 24.937 -13.141 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 140 24.565 -10.847 9.930 1.00 0.00 H new ATOM 0 HB3 SER A 140 25.275 -10.765 8.330 1.00 0.00 H new ATOM 0 HG SER A 140 22.547 -11.470 8.919 1.00 0.00 H new ATOM 1958 N ILE A 141 25.975 -13.618 10.932 1.00 0.00 N ATOM 1959 CA ILE A 141 27.124 -13.937 11.762 1.00 0.00 C ATOM 1960 C ILE A 141 27.627 -15.346 11.456 1.00 0.00 C ATOM 1961 O ILE A 141 28.761 -15.476 10.957 1.00 0.00 O ATOM 1962 CB ILE A 141 26.804 -13.785 13.273 1.00 0.00 C ATOM 1963 CG1 ILE A 141 28.013 -14.202 14.120 1.00 0.00 C ATOM 1964 CG2 ILE A 141 25.567 -14.587 13.663 1.00 0.00 C ATOM 1965 CD1 ILE A 141 27.805 -14.028 15.610 1.00 0.00 C ATOM 1966 OXT ILE A 141 26.877 -16.318 11.681 1.00 0.00 O ATOM 0 H ILE A 141 25.077 -13.883 11.337 1.00 0.00 H new ATOM 0 HA ILE A 141 27.912 -13.223 11.524 1.00 0.00 H new ATOM 0 HB ILE A 141 26.589 -12.734 13.467 1.00 0.00 H new ATOM 0 HG12 ILE A 141 28.246 -15.247 13.915 1.00 0.00 H new ATOM 0 HG13 ILE A 141 28.879 -13.616 13.813 1.00 0.00 H new ATOM 0 HG21 ILE A 141 25.371 -14.459 14.727 1.00 0.00 H new ATOM 0 HG22 ILE A 141 24.709 -14.234 13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 141 25.736 -15.643 13.450 1.00 0.00 H new ATOM 0 HD11 ILE A 141 28.702 -14.344 16.142 1.00 0.00 H new ATOM 0 HD12 ILE A 141 27.603 -12.980 15.829 1.00 0.00 H new ATOM 0 HD13 ILE A 141 26.959 -14.635 15.933 1.00 0.00 H new TER 1978 ILE A 141